|
TCMBANKIN000399 |
(E)-Pent-2-en-1-ol |
pent-2-en-1-ol; trans-2-Penten-1-ol; 1576-96-1; 2-PENTEN-1-OL; 424447_ALDRICH; EINECS 216-416-2; 2-Penten-1-ol, (E)-; (2E)-2-Penten-1-ol; ZINC06661425; 20273-24-9 |
C5H10O |
86.13 |
CCC=CCO |
|
TCMBANKIN000481 |
Hexyl acetate |
142-92-7; BRN 1747138; ZINC01683479; 45900_FLUKA; Hexyl alcohol, acetate; Hexyl ethanoate; 461245_ALDRICH; W256528_ALDRICH; Hexyl acetate (natural); 108154_ALDRICH; 88230-35-7; 1-Hexyl acetate; n-Hexyl ethanoate; n-Hexyl acetate; EINECS 205-572-7; l-Hexyl acetate; Hexylester kyseliny octove [Czech]; Capryl acetate; C8634_SIGMA; 25539_FLUKA; Acetic acid, hexyl esters mixture; Acetic acid, hexyl ester; HSDB 5641; 4-02-00-00159 (Beilstein Handbook Reference); hexyl acetate; WLN: 6OV1; Hexanol, acetate, branched and linear; NSC 7323; AI3-28569; acetic acid hexyl ester; W256501_ALDRICH; NSC7323; FEMA No. 2565 |
C8H16O2 |
144.21 g/mol |
CCCCCCOC(=O)C |
|
TCMBANKIN000963 |
PROPYL FORMATE |
formic acid propyl ester; Propyl methanoate; n-Propyl methanoate; 110-74-7; W294306_ALDRICH; 245852_ALDRICH; 4-02-00-00026 (Beilstein Handbook Reference); Propyl formates [UN1281] [Flammable liquid]; EINECS 203-798-0; InChI=1/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H; BRN 1739272; Propylester kyseliny mravenci [Czech]; 06559_FLUKA; Formiate de propyle [French]; AI3-24243; FEMA No. 2943; ZINC02041068; n-Propyl formate; Formic acid, propyl ester; UN1281 |
C4H8O2 |
88.11 |
CCCOC=O |
|
TCMBANKIN001067 |
Angelic acid |
EINECS 209-284-2; NSC 96885; Angelikasaeure; angelic acid; cis-2-dimethylcrotonic acid; UIERETOOQGIECD-ARJAWSKDSA-N; 2-butenoic acid, 2-methyl-, (2Z)-; alpha-methylisocrotonic acid; 2-Methyl-2-butenoic acid, cis; 2-Methyl-(Z)-Crotonic acid; Angelicasaeure; cis-2-Methyl-2-butenoic acid; InChI=1/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3; AK307425; MolPort-006-111-892; TR-019840; CHEBI:36431; DB-007259; MFCD00002654; Angelikasaure; ST088024; AKOS003662964; 2-methyl-2Z-butenoic acid; CHEMBL55941; 2-Methyl-(2Z)-2-butenoic acid; ZX-AT028248; BBL012257; SBB071598; Q-201832; alpha-methyl isocrotonic acid; I14-108119; acide angelique; STL163578; Crotonic acid, 2-methyl-, (Z)-; 2-Methyl-(Z)-2-Butenoic acid; H6239; SCHEMBL133954; NSC96885; KB-47402; NSC-96885; ALD-N035924; 2-Butenoic acid,2-methyl-, (2Z)-; (2Z)-2-Methyl-2-butenoic acid; 565-63-9; angelicacid; acido angelico; Crotonic acid, 2-methyl-, (Z)- (8CI); cis-2,3-dimethylacrylic acid; (Z) CH3CH=C(CH3)COOH; ZINC897447; LMFA01020029; (Z)-2-methylbut-2-enoic acid; UNII-54U4ZPB36F; Z-2-methylcrotonic acid; 54U4ZPB36F; (Z)-2-Methyl-2-butenoic Acid; 2-Butenoic acid, 2-methyl-, (Z)-; (2Z)-2-methylbut-2-enoic acid; AC1LD88O; Z-2-methyl-2-butenoic acid; CC-24130; (Z)-2-methylcrotonic acid; 2-Methylisocrotonic acid |
C5H8O2 |
100.12 |
CC=C(C)C(=O)O |
|
TCMBANKIN001174 |
3-methoxy-1-ethenyl-cyclopentene |
|
|
124.2 |
|
|
TCMBANKIN001503 |
Methakrylsaeure |
Acide methacrylique [French]; CCRIS 5925; 4-02-00-01518 (Beilstein Handbook Reference); 79-41-4; NSC7393; Acrylic acid, 2-methyl-; .alpha.-Methacrylic acid; UN2531; Kyselina methakrylova [Czech]; Propionic acid, 2-methylene-; Methacrylic acid; 2-Methylacrylic acid; Methylacrylic acid; Propenoic acid, 2-methyl; 2-Methylpropensaeure; 2-Methylenepropionic acid; Acido metacrilico [Spanish]; 2-Propenoic acid, 2-methyl-; alpha-methacrylic acid; WLN: QVY1&U1; EINECS 201-204-4; Polymethacrylic acid; CHEBI:25219; AI3-15724; 395374_ALDRICH; Methacrylsaeure; 2-Methylpropenoic acid; 463311-95-7; InChI=1/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6; 115708-68-4; 2-Propenoic acid, 2-methyl-, homopolymer; Methacrylic acid, inhibited [UN2531] [Corrosive]; alpha-Methylacrylic acid; 2-Methacrylic Acid; .alpha.-Methylacrylic acid; 2-Methyl-2-propenoic acid; HSDB 2649; 2-methylprop-2-enoic acid; POLY(METHYLACRYLIC ACID); 155721_ALDRICH; 64050_FLUKA; BRN 1719937; NSC 7393 |
C4H6O2 |
86.09 g/mol |
CC(=C)C(=O)O |
|
TCMBANKIN001550 |
Caproleic acid |
W366005_ALDRICH; 9-Decenoic acid; FEMA No. 3660; dec-9-enoic acid; 14436-32-9; 9-decylenic acid; EINECS 238-410-9; Delta(9)-decenoic acid; CHEBI:32381; LMFA01030033 |
C10H18O2 |
170.25 |
C=CCCCCCCCC(=O)O |
|
TCMBANKIN001709 |
(1R,2S)-1-ethyl-2-methylcyclopropane |
(1R,2S)-1-ethyl-2-methyl-cyclopropane |
|
84.18 |
|
|
TCMBANKIN001847 |
2-propoxypropane |
BRN 1697061; Ether, isopropyl propyl; Propane, 1-(1-methylethoxy)-; 627-08-7; Isopropyl propyl ether; 1-(1-Methylethoxy)propane; PROPYL ISOPROPYL ETHER |
C6H14O |
102.17 |
CCCOC(C)C |
|
TCMBANKIN001863 |
gamma-aminobutyric acid |
NCGC00015043-01; gamma Aminobutyric acid; GABA hydrochloride; Piperidinic acid; Spectrum3_001385; NINDS_000616; NSC 27418; 4-Aminobutyric acid hydrochloride; LMFA01100039; gamma-Aminobutanoic acid; gamma-Aminobutyric acid; QPGLUEKHBNOAHG-UHFFFAOYSA-N; NCGC00024546-03; 28805-76-7; Aminalon; Gamarex; Tocris-0344; D00058; Oprea1_584567; DF 468; 3131-86-0; Butyric acid, 4-amino- (7CI,8CI); Immu-G; EU-0100005; NSC32044; 5959-35-3; 4-aminobutyrate hydrochloride; MCULE-3615304273; Chemical Name: .gamma.-Aminobutanoic acid; InChI=1/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7; NCGC00024546-04; SPECTRUM1500678; BUTANOIC ACID,4-AMINO 4-AMINO,BUTYRIC ACID; 0S3LEB8Q58; gamma-Aminobutyric acid-carboxy-14C; Gamastan; BSPBio_002970; PDSP1_001275; Gammalon; Spectrum2_001208; gamma-Aminobuttersaeure; 56-12-2; a-Aminobutyric acid; Gamulin; nchembio.78-comp12; Gaballon; AC1L4OHW; gamma-Aminobutyric acid hydrochloride; PDSP2_001259; SMR000058285; KBio1_000616; 4-NH2-but; Butanoic acid,4-amino-, hydrochloride (1:1); Acide amino-4- butyrique [French]; 4-aminobutyrate; MLS000028505; EINECS 227-724-1; DTXSID50208256; 4-aminobutyric acid; NCGC00024546-01; KBio2_005565; ST5330631; Butanoic acid, amino-; AK498572; CCG-213774; 4-Aminobutyric acid HCl; Reanal; BG00901312; EPA Pesticide Chemical Code 030802; Gamma-Aminobutyric acid (JAN); UNII-0S3LEB8Q58; gamma-Aminobuttersaeure [German]; NSC27418; AC1Q3E7S; to_000021; Spectrum5_001425; Lopac-A-2129; KBioSS_000429; .gamma.-Aminobutanoic acid; A2129_SIGMA; g-Aminobutyric acid; 56-12-2 (Parent); KBio3_002190; SPBio_000996; Gammalon (TN); 4-NH3-but; NCGC00024546-06; NSC51295; CTK5B0181; Gammalone; Piperidic acid; WLN: Z3VQ; SGCUT00121; IDI1_000616; GABA; EINECS 200-258-6; CCRIS 3721; gamma-aminobutyrate; Spectrum_000049; gamma-Aminobutryic acid; KBio2_000429; KBio2_002997; 70582-09-1; omega-aminobutyric acid; Spectrum4_000809; Aminobutanoic acid; 4-aminobutanoic acid,hydrochloride; butanoic acid, 4-amino-; gamma-amino-n-butyric acid; Mielomade; 4-AMINO-BUTYRATE; GAMMA(AMINO)-BUTYRIC ACID HYDROCHLORIDE; Biomol-NT_000230; 4-aminobutanoic acid hydrochloride(1:1); 4-aminobutanoic acid hydrochloride; 4-aminobutanoate; A5835_SIGMA; Lopac0_000005; GAMMA-AMINO-BUTANOIC ACID; CHEBI:16865; 4-amino-butanoic acid; 4-amino-n-butyric acid; Gammar; C00334; Mielogen; Gamma-aminobutyric acid [JAN]; Gammagee; GAMMA(AMINO)-BUTYRIC ACID; NSC45460; AI3-26812; 3-Carboxypropylamine; A7463_SIGMA; Butyric acid, 4-amino-; .gamma.-Aminobutyric acid; SCHEMBL115987; DivK1c_000616; Gammasol; AKOS024400865; Aminobutyric acid; 4-Aminobutanoic acid; KBioGR_001297; Butanoic acid, 4-amino- (9CI) |
C4H10ClNO2 |
139.58 g/mol |
C(CC(=O)O)CN.Cl |
|
TCMBANKIN002374 |
Butenone |
ZINC01680420; 1-Propen-3-one; 3-Butenone-2; Methylene acetone; 2-Butenone; 69692_FLUKA; 3-Buten-2-one; delta(sup 3)-2-Butenone; 182745_ALDRICH; gamma-Oxo-alpha-butylene; Acetone, methylene-; 78-94-4; Poly(vinyl methyl ketone); Acetyl ethylene; Methyl vinyl ketone, stabilized [UN1251] [Poison]; Methylvinyl ketone; Ketone, methyl vinyl; Methylvinylketon [German]; Methylvinylketone; Methyl-vinyl-cetone; InChI=1/C4H6O/c1-3-4(2)5/h3H,1H2,2H; 3-Butene-2-one; 269549_ALDRICH; UN1251; Methyl ethenyl ketone; 1-Buten-3-one; M87509_ALDRICH; Methyl-vinyl-cetone [French]; NCGC00091118-01; CCRIS 3423; EINECS 201-160-6; Vinyl methyl ketone; HSDB 716; but-3-en-2-one; Methylvinylketon; NSC4853; WLN: 1V1U1; AI3-16048; Methyl vinyl ketone; NSC 4853 |
C4H6O |
70.09 |
CC(=O)C=C |
|
TCMBANKIN002871 |
ISOPROPYL FORMATE |
EINECS 210-901-2; 625-55-8; propan-2-yl formate; InChI=1/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H; HSDB 6401; 1-Methylethyl formate; 476455_ALDRICH; Formic acid 1-methylethyl ester; Isopropyl methanoate; 4-02-00-00027 (Beilstein Handbook Reference); ZINC02031649; Formic acid, 1-methylethyl ester; propan-2-yl methanoate; Formic acid, isopropyl ester; BRN 1735844; AI3-15407; FEMA No. 2944; formic acid isopropyl ester |
C4H8O2 |
88.11 |
CC(C)OC=O |
|
TCMBANKIN002919 |
Butylcyclobutane |
Cyclobutane, butyl- |
C8H16 |
112.21 g/mol |
CCCCC1CCC1 |
|
TCMBANKIN002976 |
2,3-Butanediol, meso- |
(2R,3S)-butane-2,3-diol; 513-85-9; NSC2164; ZINC01767640; 18969_FLUKA; 5341-95-7; 361461_ALDRICH; 2,3-Butanediol, (R*,S*)-; erythro-2,3-Butanediol; ZINC01577184 |
C4H10O2 |
90.12 |
CC(C(C)O)O |
|
TCMBANKIN002987 |
Paracetat |
propan-2-yl acetate; Isopropyl acetate; Acetic Acid, isopropyl ester; Isopropyl (acetate d') [French]; NSC9295; 45960_FLUKA; Isopropyl acetate [UN1220] [Flammable liquid]; Isopropylacetat; WLN: 1YOV1; Acetate d'isopropyle [French]; NCGC00091731-01; 185477_ALDRICH; 537462_ALDRICH; Acetic acid, 1-methylethyl ester; 90871_FLUKA; 2-Propyl acetate; Isopropile (acetato di) [Italian]; 2-Acetoxypropane; 112992_ALDRICH; UN1220; Isopropyl ethanoate; 1-Methylethyl acetate; HSDB 159; propan-2-yl ethanoate; Isopropyle (acetate d') [French]; InChI=1/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H; Isopropylacetaat; CCRIS 6053; 4-02-00-00141 (Beilstein Handbook Reference); Isopropyl(acetate d'); W292605_ALDRICH; Isopropylacetaat [Dutch]; Isopropylacetat [German]; BRN 1740761; Acetate d'isopropyle; acetic acid isopropyl ester; EINECS 203-561-1; Isopropylester kyseliny octove [Czech]; FEMA No. 2926; NSC 9295; ZINC00388088; Isopropile(acetato di); 108-21-4 |
C5H10O2 |
102.13 |
CC(C)OC(=O)C |
|
TCMBANKIN002996 |
2- naphthalene methanol |
|
C11H10O |
158.2 g/mol |
C1=CC=C2C=C(C=CC2=C1)CO |
|
TCMBANKIN003219 |
ZINC00395662 |
|
C6H12O2 |
116.16 |
|
|
TCMBANKIN003384 |
plumb |
|
C14H22N2O |
|
CCN(CC)CC(=O)NC1=C(C=CC=C1C)C |
|
TCMBANKIN003710 |
3,3-Dimethylpentane |
562-49-2; InChI=1/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H; 118451_ALDRICH; NSC74150; EINECS 209-230-8; FR-2188; 3,3-dimethyl pentane; NSC 74150; Pentane, 3,3-dimethyl- |
C7H16 |
100.2 |
CCC(C)(C)CC |
|
TCMBANKIN003780 |
iodo tyrosine |
|
C9H10INO3 |
307.08 g/mol |
C1=CC(=CC=C1CC(C(=O)O)NI)O |
|
TCMBANKIN004644 |
4,5-Dihydrosylvan |
1487-15-6; 4,5-DIHYDRO-2-METHYLFURAN; D105805_ALDRICH; 2,3-Dihydro-5-methylfuran; 2-Methyl-4,5-dihydrofuran; Furan, 2,3-dihydro-5-methyl-; EINECS 216-067-6 |
C5H8O |
84.12 |
CC1=CCCO1 |
|
TCMBANKIN004757 |
ZINC00394787 |
|
C6H12O2 |
116.16 |
|
|
TCMBANKIN004949 |
Hydroxybutyric acid- |
.gamma.-Hydroxybutyric acid decomposition product; 502-85-2 (SODIUM SALT); CHEBI:30830; BRN 1720582; NSC84223 (SODIUM SALT); gamma-Hydroxybutyric acid; LMFA01050006; PDSP2_000340; Butanoic acid, 4-hydroxy-; 4-Hydroxybutanoic acid; HYDROXYBUTYRIC ACID, GAMMA; Butyric acid, 4-hydroxy-; AIDS156012; 4-Hydroxybuttersaeure; 591-81-1; 4-hydroxy-butyric acid; C00989; 4-Hydroxybutyric acid; 52352-27-9; .Gamma.-Hydroxy butyrate; 4-03-00-00774 (Beilstein Handbook Reference); PDSP1_000342; AIDS-156012 |
C4H8O3 |
104.1 |
C(CC(=O)O)CO |
|
TCMBANKIN005050 |
(2R)-2-methylbutan-1-ol |
ZINC01586738; InChI=1/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H; 1-BUTANOL,2-METHYL MFC5 H12 O1 |
C5H12O |
88.15 |
CCC(C)CO |
|
TCMBANKIN005364 |
Phenylephrine |
|
C9H13NO2 |
167.2 g/mol |
CNCC(C1=CC(=CC=C1)O)O |
|
TCMBANKIN005990 |
L-Phenylalanine |
|
C9H11NO2 |
165.19 g/mol |
C1=CC=C(C=C1)CC(C(=O)O)N |
|
TCMBANKIN006009 |
(2R)-5-methylhexan-2-ol |
ZINC02031629 |
C7H16O |
116.2 |
|
|
TCMBANKIN006118 |
NEOPENTANE |
1,1,1-Trimethylethane; 2,2-Dimethylpropane [UN2044] [Flammable gas]; 463-82-1; BRN 1730722; EINECS 207-343-7; Tetramethylmethane; 2,2-Dimethylpropane; UN2044; tert-Pentane; HSDB 110; Propane, 2,2-dimethyl-; 4-01-00-00333 (Beilstein Handbook Reference); (CH3)4C; CHEBI:30358 |
C5H12 |
72.15 |
CC(C)(C)C |
|
TCMBANKIN006235 |
BUQ |
252557_ALDRICH; 590-90-9; 3-Ketobutan-1-ol; EINECS 209-693-6; 4-Butanol-2-one; InChI=1/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H; NSC41219; Ketones, C4-6, beta-hydroxy; 4-Hydroxy-2-butanone; NSC 41219; Monomethylolacetone; 3-Oxo-1-butanol; ZINC01672523; 68648-26-0; CH3C(O)CH2CH2OH; 2-Hydroxyethyl methyl ketone; 3-Oxobutanol; ghl.PD_Mitscher_leg0.412; 4-Hydroxybutan-2-one; AI3-11747; Methylolacetone; 2-Butanone, 4-hydroxy- |
C4H8O2 |
88.11 g/mol |
CC(=O)CCO |
|
TCMBANKIN006243 |
3,3-Dimethylbutylamine |
3,3-DIMETHYLBUTANAMINE; EINECS 223-353-4; 59367-75-8; 15673-00-4; 3,3-dimethylbutan-1-amine; 1-butanamine, 3,3-dimethyl-; 1,2,2-Trimethylpropylamine; EINECS 239-749-5; 183113_ALDRICH; InChI=1/C6H15N/c1-6(2,3)4-5-7/h4-5,7H2,1-3H |
C6H15N |
101.19 |
CC(C)(C)CCN |
|
TCMBANKIN006316 |
(R)-2-butanol |
(-)-2-butanol; 14898-79-4; (R)-Butan-2-ol; (R)-(−)-sec-Butyl alcohol; (2R)-butan-2-ol; (R)-(-)-sec-butyl alcohol; (R)-(-)-2-butanol; CHEBI:35686; 236691_ALDRICH; EINECS 238-967-8; ZINC01622055; (R)-(−)-2-Butanol |
C4H10O |
74.12 |
CCC(C)O |
|
TCMBANKIN006459 |
Butyrone |
NSC8692; Dipropyl ketone [UN2710] [Flammable liquid]; NSC 8692; Heptan-4-one; Dipropyl ketone; Propyl ketone; EINECS 204-608-9; UN2710; 46204_RIEDEL; WLN: 3V3; DI(N-PROPYL) KETONE; 4-Heptanone; 4-Heptanone (natural); BRN 1699049; InChI=1/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H; ZINC01648177; 101745_ALDRICH; FEMA No. 2546; Di-n-propyl ketone; 4-01-00-03323 (Beilstein Handbook Reference); W254606_ALDRICH; AI3-15181; 123-19-3 |
C7H14O |
114.19 |
CCCC(=O)CCC |
|
TCMBANKIN006807 |
Trimethylphosphine oxide |
Me3PO; hydroxy-trimethylphosphanium; dimethylphosphorylmethane; hydroxy-trimethylphosphonium; InChI=1/C3H9OP/c1-5(2,3)4/h1-3H; (CH3)3PO; EINECS 211-633-9; hydroxy-trimethyl-phosphanium; hydroxy-trimethyl-phosphonium; ZINC01845838; 676-96-0 |
C3H9OP |
92.08 |
CP(=O)(C)C |
|
TCMBANKIN006943 |
histamine |
beta-Aminoethylglyoxaline; 3bu1; IDI1_002144; Bio1_000976; AIDS020252; Histamium; 2-(3H-imidazol-4-yl)ethanamine; Bio1_000487; 5-Imidazoleethylamine; 4-Imidazoleethylamine; NCGC00093371-03; Spectrum3_000452; BCBcMAP01_000250; KBio3_000854; L-histamine; 1H-Imidazole-4-ethanamine; Spectrum4_000960; BSPBio_001117; KBio2_003893; C00388; 2-(1H-imidazol-4-yl)ethanamine; KBio2_000457; KBioSS_000457; Histamine, Free Base; CCRIS 6535; SMR000059091; NSC33792; KBio2_003025; CHEBI:58432; 2-(4-Imidazolyl)ethylamine; BSPBio_002124; Istamina [Italian]; Ergamine; 2-(1H-imidazol-5-yl)ethylazanium; ZERO/004089; HSM; 4-(2-Aminoethyl)-1H-imidazole; Eramin; Spectrum_000845; CJ-15872; Histamine Base; histaminium; .beta.-Imidazolyl-4-ethylamine; histaminium cation; Bio1_001465; beta-Imidazolyl-4-ethylamine; NSC 33792; KBioGR_001580; 3rxh; SMP1_000151; WLN: T5M CNJ D2Z; Histamine [USAN]; Imidazole-4-ethylamine; beta-Aminoethylimidazole; Spectrum2_000665; KBioSS_001325; Ergotidine; KBio3_000853; 2-Imidazol-4-ylethylamine; SDCCGMLS-0066601.P001; 5-(2-Aminioethyl)-1H-imidazole; 2-(3H-imidazol-4-yl)ethylamine; peremin; A828600; 51-45-6; AIDS-020252; HSDB 3338; NCGC00015513-01; HISTAMINE; EINECS 200-100-6; KBio2_005593; Lopac0_000595; nchembio714-comp1; KBio1_000308; MLS000069447; CHEBI:18295; Lopac-H-7250; Ethylamine, 2-imidazol-4-yl-; KBio3_001344; Free histamine; IDI1_000308; H7125_SIGMA; 2-(1H-imidazol-4-yl)ethanaminium; KBioGR_000457; KBio2_006461; ST073926; 53290_FLUKA; FT-0669215; 2-(1H-imidazol-5-yl)ethylammonium; beta-aminothethylglyoxaline; Bio2_000389; Spectrum5_000796; SPBio_000729; Theramine; DivK1c_000308; KBio2_001325; NINDS_000308; NCGC00093371-04; Bio2_000869; Imidazole, 4-(2-aminoethyl)-; 2-(1H-imidazol-5-yl)ethanamine |
C5H9N3 |
111.15 |
C1=C(NC=N1)CCN |
|
TCMBANKIN007268 |
HBR |
C00810; R,3-HYDROXYBUTAN-2-ONE; ZINC00895240; InChI=1/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H; CHEBI:15686; (3R)-3-hydroxybutan-2-one; 2-BUTANONE,3-HYDROXY (DL) MFC4 H8 O2 |
C4H8O2 |
88.11 |
Br |
|
TCMBANKIN007403 |
()-Styrene glycol |
(S)-()-Phenylethylene glycol; InChI=1/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H; (1S)-1-phenylethane-1,2-diol; (S)-()-1-Phenyl-1,2-ethanediol; ZINC00391852; 302155_ALDRICH; TE5119; 1-phenylethane-1,2-diol |
C8H10O2 |
138.16 |
C1=CC=C(C=C1)C(CO)O |
|
TCMBANKIN007494 |
METHYLCYCLOHEXENE |
.alpha.-Methylcyclohexene; 1-Methyl-1-cyclohexene; InChI=1/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H; 2,3,4,5-Tetrahydrotoluene; 129801_ALDRICH; Cyclohexene, methyl-; Cyclohexene, 1-methyl-; NSC 66539; AI3-52478; 1-Methylcyclohexene; 1335-86-0; NSC66539; 591-49-1; ghl.PD_Mitscher_leg0.949; EINECS 215-640-8; alpha-Methylcyclohexene; EINECS 209-718-0; 66430_FLUKA |
C7H12 |
96.17 |
CC1=CCCCC1 |
|
TCMBANKIN007905 |
Acetol |
Hydroxyacetone; Pyruvinalcohol; ZINC00895664; AI3-37788; Hydroxypropanone; 2-Propanone, 1-hydroxy-; 4-01-00-03977 (Beilstein Handbook Reference); BRN 0605368; WLN: Q1V1; Hydroxy-2-propanone; ACETYLCARBINOL; Acetone alcohol; 2-Oxopropanol; 2-Ketopropyl alcohol; 116-09-6; Pyruvic alcohol; ST5214599; 54142_FLUKA; 1-hydroxyacetone; 138185_ALDRICH; Methylketol; NSC 102497; 1-hydroxypropan-2-one; Methanol, acetyl-; C05235; NSC102497; EINECS 204-124-8; CHEBI:27957; 1-Hydroxy-2-propanone; Acetylmethanol; Hydroxymethyl methyl ketone |
C3H6O2 |
74.08 |
CC(=O)CO |
|
TCMBANKIN007989 |
cyclo(S)-Pro-(R)-Leu |
|
C31H42N6O7 |
|
CC(C)CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43 |
|
TCMBANKIN008219 |
7-Octen-4-ol |
oct-7-en-4-ol; 53907-72-5; AKOS011019332; 7-OCTEN-4-OL; 7-octen-4-ol; AC1L24QG; SCHEMBL2474318; CTK8J1312; 87830-31-7; MJWKMORBWQZWOT-UHFFFAOYSA-N |
C10H18O |
154.25 |
CCCC(CCC=C)O |
|
TCMBANKIN008324 |
Pentanol-3 |
76950_FLUKA; 584-02-1; NSC8654; ZINC01648159; sec-inact.-Pentyl alcohol; Pentan-3-ol; 3-Pentanol; BRN 1730964; AI3-24335; 76948_FLUKA; Diethyl carbinol; WLN: QY2&2; sec-Pentanol; NSC 8654; 4-01-00-01662 (Beilstein Handbook Reference); 3-Pentyl alcohol; P8025_ALDRICH; EINECS 209-526-7 |
C5H12O |
88.15 |
CCC(CC)O |
|
TCMBANKIN008405 |
(2S)-2-methylbutan-1-ol |
ZINC02040993; 65979_FLUKA; A83407_ALDRICH; (S)-(−)-2-Methylbutanol; (S)-(−)-2-Methyl-1-butanol; Prim. active amyl alcohol; 65980_FLUKA |
C5H12O |
88.15 |
CCC(C)CO |
|
TCMBANKIN008443 |
(3S)-3-methylhexane |
InChI=1/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H |
C7H16 |
100.2 |
|
|
TCMBANKIN008602 |
Cholanoic acid |
5.beta.-Cholanic acid; CHEBI:36238; Cholan-24-oic acid, (5beta)- (9CI); LMST04010441; Cholan-24-oic acid, (5.beta.)-; (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid; NSC18161; (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid; Ursocholanic acid; 5beta-Cholanoic acid; 5beta-Cholan-24-oic acid (8CI); NSC 18161; Androstane-17-butanoic acid, gamma-methyl-, (5beta,17beta)-; 5beta-Cholan-24-oic Acid; 5.beta.-Cholan-24-oic acid; L 596205-0; 5beta-Cholanic acid; Androstane-17-butanoic acid, .gamma.-methyl-, (5.beta.,17.beta.)-; (5beta)-cholan-24-oic acid; 546-18-9; 5.beta.-Cholanoic acid; (5beta,17beta)-gamma-methylandrostane-17-butanoic acid |
C24H40O2 |
360.57 |
CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C |
|
TCMBANKIN008636 |
acetylcholine |
Vagusstoff; AC1NSTAT; Acetylcholine Hydroxide; 2-acetyloxyethyl(trimethyl)azanium hydroxide; SCHEMBL3904052; 56-13-3 |
C7H16NO2+ |
146.21 g/mol |
CC(=O)OCC[N+](C)(C)C |
|
TCMBANKIN009007 |
1-OCTYNE |
32073-03-3; BRN 1734494; 74970_FLUKA; 244465_ALDRICH; oct-1-yne; InChI=1/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H; 629-05-0; EINECS 211-069-3; Hexylacetylene; 4-01-00-01034 (Beilstein Handbook Reference) |
C8H14 |
110.2 |
CCCCCCC#C |
|
TCMBANKIN009126 |
D-Prolin |
AI3-26710; NCGC00163339-02; FEMA No. 3319; InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8; C00763; Proline [USAN:INN]; L-Pyrrolidine-2-carboxylic acid; (R)-pyrrolidine-2-carboxylic acid; NCI97923; NCIStruc2_000132; NCGC00163339-01; (S)-2-Pyrrolidinecarboxylic acid; Prolinum [Latin]; EINECS 205-702-2; HSDB 1210; (-)-2-Pyrrolidinecarboxylic acid; 858919_ALDRICH; (2R)-2-pyrrolidinecarboxylic acid; (2R)-pyrrolidine-2-carboxylic acid; PRO (IUPAC abbreviation); 81705_FLUKA; CB 1707; (2R)-proline; Proline (VAN); 7005-20-1; SBB006712; PROLINE (L); L-alpha-Pyrrolidinecarboxylic acid; CHEBI:16313; EINECS 206-452-7; Prolina [Spanish]; (L)-PROLINE; FEMA Number 3319; NSC 46703; NCIStruc1_001918 |
C5H9NO2 |
115.13 |
CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)OC(C)(C)C |
|
TCMBANKIN009227 |
Methionol |
InChI=1/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H; gamma-Methylmercaptopropyl alcohol; W341509_ALDRICH; NSC 2859; Methyl 3-hydroxypropylsulfide; EINECS 208-004-6; 3-(Methylthio)propyl alcohol; methionol; 3-methylsulfanylpropan-1-ol; ZINC01641187; 3-(METHYLTHIO)PROPANOL; FEMA No. 3415; 1-Propanol, 3-(methylthio)-; 318396_ALDRICH; 3-(Methylthio)-1-propanol; 3-(methylthio)propan-1-ol; 3-Hydroxypropyl methyl sulfide; NSC2859; AI3-17420; 505-10-2; 3-Methylmercapto-1-propanol; gamma-Hydroxypropyl methyl sulfide; .gamma.-Methylmercaptopropyl alcohol |
C4H10OS |
106.19 |
CSCCCO |
|
TCMBANKIN009262 |
ZINC01666986 |
340308_ALDRICH; (2R)-hexan-2-ol; (R)-(−)-2-Hexanol |
C6H14O |
102.17 |
CCCCC(C)O |
|
TCMBANKIN009297 |
2-methyl-butanol-1-ol |
|
|
104.17 |
|
|
TCMBANKIN009391 |
Hexa-2,4-diene |
InChI=1/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3+,6-4; 68514-38-5; 2,4-Hexadiene, (E,E)-; (4E)-hexa-2,4-diene; (2E,4E)-hexa-2,4-diene; NSC 74169; (E),(E)-CH3CH=CHCH=CHCH3; EINECS 209-757-3; 2,4-HEXADIENE (TRANS,TRANS); trans,trans-Hexa-2,4-diene; EINECS 225-980-9; Hydrocarbons, C4-10-unsatd.; EINECS 271-040-6; 5194-51-4; 2,4-hexadiene, (2E,4E)-; 1,4-Dimethylbutadiene |
C6H10 |
82.14 |
CC=CC=CC |
|
TCMBANKIN009714 |
ZINC02041097 |
(3R)-butane-1,3-diol; (R)-(−)-1,3-Butanediol; InChI=1/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H; 237612_ALDRICH |
C4H10O2 |
90.12 |
CC(CCO)O |
|
TCMBANKIN009716 |
ZINC01592387 |
(3R)-2-methylpent-1-en-3-ol |
C56H93N19O25 |
1432.45 |
|
|
TCMBANKIN009821 |
Methyl propylate |
81988_FLUKA; ZINC01699947; EINECS 209-060-4; Propionate de methyle; propanoic acid methyl ester; InChI=1/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H; 554-12-1; Methylester kyseliny propionove [Czech]; AI3-10621; Propanoic acid, methyl ester; propionic acid methyl ester; 4-02-00-00704 (Beilstein Handbook Reference); FEMA No. 2742; Propionate de methyle [French]; W274208_ALDRICH; NSC 9375; UN1248; 109258_ALDRICH; Propionic acid, methyl ester; BRN 1737628; Methyl Propionate (natural); Methyl propionate; HSDB 5688; Methyl propionate [UN1248] [Flammable liquid]; NSC9375; WLN: 2VO1; Methyl propanoate; FEMA Number 2742 |
C4H8O2 |
88.11 |
CCC(=O)OC |
|
TCMBANKIN009966 |
Isooctane |
34862_SIAL; ISO-OCTANE; c1078; 34499_RIEDEL; 32291_RIEDEL; BRN 1696876; Pentane, 2,2,4-trimethyl-; NSC39117; 59045_FLUKA; 2,2,4-Trimethylpentane; InChI=1/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H; WLN: 1Y1&1X1&1&1; EINECS 208-759-1; 4-01-00-00439 (Beilstein Handbook Reference); 59030_FLUKA; 258776_ALDRICH; Isobutyltrimethylmethane; 31921-36-5; 360597_SIAL; 2,4,4-Trimethylpentane; 650439_ALDRICH; 59041_FLUKA; 360066_ALDRICH; HSDB 5682; 540-84-1; 155012_SIAL; AI3-23976; NSC 39117 |
C8H18 |
114.23 |
CC(C)CC(C)(C)C |
|
TCMBANKIN010129 |
1-PHENYL-ETHANOL |
(R)-alpha-methylbenzenemethanol; P4277_SIGMA; 07366_FLUKA; SS2; (1R)-1-PHENYLETHANOL; (R)-()-1-Phenylethanol; 77848_FLUKA; ST5411712; (R)-1-phenylethanol; ()-Methyl phenyl carbinol; ZINC00896626; (R)-()-alpha-Methylbenzyl alcohol; InChI=1/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H; CHEBI:45616 |
C8H10O |
122.16 |
CC(C1=CC=CC=C1)O |
|
TCMBANKIN010208 |
(1S,2S)-1,2-bis(2-furyl)ethane-1,2-diol |
(1S,2S)-1,2-di(furan-2-yl)ethane-1,2-diol |
C5H6O2 |
98.1 |
|
|
TCMBANKIN010261 |
LNK |
Hydrocarbons, C4-6, C5-rich; Pentan [Polish]; Hydrocarbons, C>4; InChI=1/C5H12/c1-3-5-4-2/h3-5H2,1-2H; 32288_RIEDEL; Pentane, pentene fraction; HSDB 109; CHEBI:37830; 34956_SIAL; EINECS 270-695-5; Tetrakil; Pentan; 236705_ALDRICH; Caswell No. 642AA; EINECS 271-960-8; 442746_SUPELCO; Pentani [Italian]; EINECS 270-654-1; Skellysolve A; 76871_FLUKA; 109-66-0; Pentanen; 68476-43-7; Pentanes [UN1265] [Flammable liquid]; NSC 72415; UN1265; CH3-[CH2]3-CH3; 158941_ALDRICH; WLN: 5H; n-Pentane; 68475-60-5; 8031-35-4; EINECS 203-692-4; Tetrafume; 154954_ALDRICH; AI3-28785; Pentani; Amyl hydride; Pentane; 68476-55-1; 76869_FLUKA; 68647-60-9; Alkanes, C4-5; 34497_RIEDEL; Tetraspot; EINECS 270-684-5; EPA Pesticide Chemical Code 098001; Pentanen [Dutch]; Hydrocarbons, C5-rich; NSC72415; 16504_RIEDEL; 76880_FLUKA; 76878_FLUKA; NCGC00091116-01; Pentanes (petroleum); 76870_FLUKA; 76866_FLUKA; Pentane mixture of Isomers; Pentane Fraction; 102056-77-9; 34894_RIEDEL |
C5H12 |
72.15 |
CCCCC |
|
TCMBANKIN010903 |
(S)-Matsutake alcohol |
ZINC02026960; (S)-1-Octen-3-ol; (S)-oct-1-en-3-ol; (3S)-oct-1-en-3-ol; CHEBI:46735; 3OL; 40577_FLUKA |
C8H16O |
128.21 |
CCCCCC(C=C)O |
|
TCMBANKIN010977 |
(1S,2R)-1-ethyl-2-methylcyclopropane |
(1S,2R)-1-ethyl-2-methyl-cyclopropane; rel-(1R,2S)-1-ethyl-2-methylcyclopropane; InChI=1/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s; cyclopropane, 1-ethyl-2-methyl-, (1S,2R)- |
C6H12 |
84.16 |
CCC1CC1C |
|
TCMBANKIN011025 |
(2S)-2-methyloxolan-3-one |
ZINC03880802; (2S)-2-methyltetrahydrofuran-3-one; (2S)-2-methyl-3-tetrahydrofuranone |
C5H8O2 |
100.12 |
CC1C(=O)CCO1 |
|
TCMBANKIN011519 |
(1S,2S)-1,2-dimethylcyclopentane |
cyclopentane, 1,2-dimethyl-, (1S,2S)-; InChI=1/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s |
C7H14 |
98.19 |
CC1CCCC1C |
|
TCMBANKIN011602 |
NPG |
AIDS-017551; Neopentanediol; 1,3-Propanediol, 2,2-dimethyl-; Neopentylglycol; AIDS017551; WLN: Q1X1 & 1 & 1Q; Neopentylene glycol; AI3-05739; CBDivE_004836; 126-30-7; 4-01-00-02551 (Beilstein Handbook Reference); 2,2-Dimethylpropane-1,3-diol; ZINC00388175; Propanediol, 2,2-dimethyl-, 1,3-; 111109-35-4; NSC 55836; NSC55836; 2,2-Dimethyltrimethylene glycol; EINECS 204-781-0; 2,3-Dimethyl-1,3-propanediol; Dimethylolpropane; 41510_FLUKA; 2,2-Dimethyl-1,3 propanediol; Hydroxypivalyl alcohol; Neol; 2,2-DIMETHYL-1,3-PROPANEDIOL; NSC6366; InChI=1/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H; 538256_ALDRICH; BRN 0605291; Neopentyl glycol; NPG Glycol; Dimethyltrimethylene glycol |
C5H12O2 |
104.15 |
CC(C)(CO)CO |
|
TCMBANKIN011634 |
D-Serin |
EINECS 206-229-4; NSC 77689; InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7; NCGC00094363-04; AI3-18476; (2R)-2-amino-3-hydroxypropanoic acid; EU-0101088; 84970_FLUKA; (R)-2-Amino-3-hydroxypropionic acid; BPBio1_001226; NCGC00094363-03; DL-Serine; AIDS071644; S4250_SIGMA; AIDS-071644; C00740; (R)-2-amino-3-hydroxypropanoic acid; SERINE (L); Biomol-NT_000197; Lopac0_001088; CHEBI:16523; Serine D-form |
C3H7NO3 |
105.09 |
C(C(C(=O)O)N)O |
|
TCMBANKIN011743 |
Cycasin_qt |
|
C8H16N2O7 |
252.22 |
|
|
TCMBANKIN012298 |
2-Oxobutanol |
Ethyl hydroxymethyl ketone; 1-Hydroxy-2-butanone; 2-Butanone, 1-hydroxy-; FEMA No. 3173; 5077-67-8; EINECS 225-790-6; 1-Hydroxybutan-2-one |
C4H8O2 |
88.11 |
CCC(=O)CO |
|
TCMBANKIN012543 |
Fuseloel |
W205710_ALDRICH; Isoamylol; Primary isoamyl alcohol; Isoamyl alcohol (primary and secondary); 59085_FLUKA; 59090_FLUKA; Huile de fusel; I9392_SIGMA; 3-Methyl-1-butanol; EINECS 204-633-5; Fermentation amyl alcohol; ZINC00896830; 277584_ALDRICH; Alcool isoamylique; 1-HYDROXY-3-METHYLBUTANE; 123-51-3; NSC 1029; Iso-amyl alcohol; Isopentanol; 3-Metil-butanolo; isopentan-1-ol; ISOAMYLALCOHOL; 1-Butanol, 3-methyl-; Fusel Oil; 309435_ALDRICH; M32658_SIAL; 3-METHYL-BUTAN-(1)-OL; NSC1029; 6423-06-9; WLN: Q2Y1 & 1; Alcool amilico [Italian]; FEMA No. 2057; Isoamyl alkohol; HSDB 605; Iso-amylalkohol [German]; IP3; Isopentyl alcohol (8CI); Isoamyl alcohol, primary; Isoamyl alkohol [Czech]; C07328; Isobutyl carbinol; Isoamyl alcohol; i-Amyl alcohol; 59092_FLUKA; Amylowy alkohol; Isobutylcarbinol; Isopentyl alcohol; AI3-15288; InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H; FEMA Number 2057; Iso-amylalkohol; W205702_ALDRICH; Amylowy alkohol [Polish]; 3-Methylbutan-1-ol; Alcool isoamylique [French]; NSC7905; 320021_SIAL; Alcool amilico; 2-Methyl-4-butanol; 3-Metil-butanolo [Italian]; CHEBI:15837; Isoamyl alcohol (natural); 3-Methylbutanol |
C5H12O |
88.15 |
CC(C)CC[O-].CC(C)CC[O-].[Mg+2] |
|
TCMBANKIN012721 |
Diallyl |
Hexadiene (DOT); alpha,omega-Hexadiene; .alpha.,.omega.-Hexadiene; 52440_FLUKA; EINECS 209-754-7; Biallyl; 128554_ALDRICH; 41919-05-5; 592-42-7; NSC 60690; NSC60690; InChI=1/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H; Hexa-1,5-diene; 1,5-Hexadiene |
C6H10 |
82.14 |
C=CCCC=C |
|
TCMBANKIN012762 |
3-Methylpentane |
96-14-0; NSC 66497; 68320_FLUKA; NSC66497; InChI=1/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H; M66005_ALDRICH; 442390_SUPELCO; Pentane, 3-methyl-; 3-methylpentane; AI3-28852; EINECS 202-481-4; HSDB 5300; 68322_FLUKA; Diethylmethylmethane |
C6H14 |
86.18 |
CCC(C)CC |
|
TCMBANKIN012976 |
d-mandelonitrile |
(2R)-hydroxy(phenyl)acetonitrile; (R)-mandelonitrile; (2R)-2-hydroxy-2-phenylacetonitrile; (2R)-2-hydroxy-2-phenyl-acetonitrile; (2R)-2-hydroxy-2-phenyl-ethanenitrile; 469653_ALDRICH; CHEBI:18450; (R)-(+)-mandelonitrile; (+)-mandelonitrile; (R)-()-alpha-Hydroxybenzeneacetonitrile; (R)-()-Mandelonitrile |
C20H27NO11 |
457.43 |
C1=CC=C(C=C1)C(C#N)O |
|
TCMBANKIN013792 |
Sucol B |
345261_ALDRICH; 73640_FLUKA; 70501_FLUKA; 345288_ALDRICH; Polycaprolactone-block-polytetrahydrofuran-block-polycaprolactone; TERATHANE2900 polyether glycol; Poly(1,4-butanediol); 345296_ALDRICH; 1,4-Dihydroxybutane; AI3-07553; ZINC01599375; 1,4-BUTANEDIOL; 110-63-4; Agrisynth B1D; TERATHANE1400 polyether glycol; 1,4-BD; 240559_SIAL; TERATHANE1000 polyether glycol; ST5214425; Poly(tetrahydrofuran); 89918_FLUKA; Butane-1,4-diol; alpha-Hydro-omega-hydroxypoly(oxy-1,4-butanediyl); 28324-25-6; 345334_ALDRICH; BU1; 91606_FLUKA; NCGC00090733-01; CCRIS 5984; Tetramethylene glycol; BRN 1633445; WLN: Q4Q; HSDB 1112; TERATHANE2000 polyether glycol; NSC 406696; 93542_FLUKA; 345326_ALDRICH; Poly THF; 4-01-00-02515 (Beilstein Handbook Reference); 420999_ALDRICH; NSC406696; BUTANEDIOL; 80748_FLUKA; EINECS 203-786-5; 71602_FLUKA; 732189-03-6; 1,4-Butylene glycol; Polytetramethylene ether glycol; 526320_ALDRICH; InChI=1/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H; DIOL 14B; 493732_SIAL; 93562_FLUKA; TERATHANE650 polyether glycol; Tetramethylene 1,4-diol; 80016_FLUKA; 1,4-Tetramethylene glycol |
C4H10O2 |
90.12 |
C(CCO)CO |
|
TCMBANKIN014134 |
2-Phenylpropenal |
2-phenylprop-2-enal; Benzeneacetaldehyde, .alpha.-methylene-; 495-10-3; 2-PHENYLACROLEIN |
C9H7N |
129.16 |
C=C(C#N)C1=CC=CC=C1 |
|
TCMBANKIN014635 |
(2S)-heptan-2-amine |
(S)-()-2-Aminoheptane; 462632_ALDRICH; [(1S)-1-methylhexyl]amine |
C7H17N |
115.22 |
CCCCCC(C)N |
|
TCMBANKIN014663 |
Ethyltrimethylethylene |
FR-2400; 2,3-dimethylpent-2-ene; 2-Pentene, 2,3-dimethyl-; 10574-37-5; 2,3-DIMETHYL-2-PENTENE |
C7H14 |
98.19 |
CCC(=C(C)C)C |
|
TCMBANKIN014683 |
Tobacco ene |
|
C9H6Cl6O3S |
|
C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl |
|
TCMBANKIN014805 |
(2R)-2-methylcyclopentan-1-one |
(2R)-2-methyl-1-cyclopentanone; ZINC01686501; InChI=1/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H |
C6H10O |
98.14 |
|
|
TCMBANKIN014952 |
SENECIC ACID |
38880_FLUKA; LMFA01020097; ST5207953; EINECS 208-782-7; beta,beta-Dimethylacrylic acid; beta-Methylcrotonic acid; NSC 2549; BRN 1720305; NSC2549; Senecioic acid; D138606_ALDRICH; beta,beta-Dimethacrylic acid; 2-Butenoic acid, 3-methyl-; beta,beta-dimethyl acrylic acid; NSC97179; InChI=1/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7; WLN: QV1UY1&1; AI3-23985; AE-848/32066036; 3-Methyl-2-butenoic acid; 3-methylbut-2-enoic acid; FEMA No. 3187; Kyselina 3-methyl-2-butenova [Czech]; 3-Methylcrotonic acid; 541-47-9; .beta.-Methylcrotonic acid; .beta.,.beta.-Dimethacrylic acid; Crotonic acid, 3-methyl-; .beta.,.beta.-Dimethylacrylic acid; 4-02-00-01555 (Beilstein Handbook Reference); beta-Methylcrotonic acid;; W318701_ALDRICH; 3,3-Dimethylacrylic acid; CHEBI:37127 |
C5H8O2 |
100.12 |
CC(=CC(=O)O)C |
|
TCMBANKIN015244 |
(3S)-2,3-dimethylpentane |
|
C7H16 |
100.2 |
|
|
TCMBANKIN015746 |
CNH |
00591_FLUKA; Acetoncyanhydrin; AI3-04257; Acetone cyanohydrin; 59182-86-4; HSDB 971; acetone-cyanohydrin; 2-Hydroxyisobutyronitrile; RCRA waste number P069; 2-hydroxy-2-methyl-propanenitrile; Acetonecyanhydrine; C02659; Acetoncianidrina [Italian]; Acetonkyanhydrin; 4-03-00-00785 (Beilstein Handbook Reference); 2-Hydroxy-2-methylpropionitrile; A10000_ALDRICH; Acetone cyanhydrin; Acetoncianhidrinei [Romanian]; 75-86-5; 2-Cyano-2-hydroxypropane; NSC 131093; NSC7080; Acetoncianhidrinei; .alpha.-Hydroxyisobutyronitrile; 2-Cyano-2-propanol; Acetoncianidrina; Cyanhydrine d'acetone; SBB004397; 2-Propanone, cyanohydrin; Acetoncyaanhydrine; NSC131093; UN1541; BRN 0605391; Lactonitrile, 2-methyl-; CHEBI:15348; Acetone cyanohydrin, stabilized; Acetonkyanhydrin [Czech]; Acetone cyanohydrin, stabilized [UN1541] [Poison]; WLN: QX1&1&CN; alpha-Hydroxyisobutyronitrile; 2-Hydroxy-2-methylpropanenitrile; EINECS 200-909-4; Cyanhydrine d'acetone [French]; Acetoncyaanhydrine [Dutch]; Acetoncyanhydrin [German]; RCRA waste no. P069; Usaf rh-8; InChI=1/C4H7NO/c1-4(2,6)3-5/h6H,1-2H; 2-Methyllactonitrile; Acetonecyanhydrine [French]; Propanenitrile, 2-hydroxy-2-methyl-; 2-hydroxy-2-methyl-propionitrile; CCRIS 4657; NSC977 |
C4H7NO |
85.1 |
CC(C)(C#N)O |
|
TCMBANKIN016391 |
N-Nitroso-3-pyrroline |
2,5-Dihydro-1-nitroso-1H-pyrrole; BRN 0106739; 1-nitroso-3-pyrroline; 3-PYRROLINE, N-NITROSO-; 3-Pyrroline, 1-nitroso-; Nitroso-3-pyrrolin [German]; 10552-94-0; 1H-Pyrrole, 2,5-dihydro-1-nitroso-; 5-20-04-00277 (Beilstein Handbook Reference); 1-nitroso-2,5-dihydropyrrole |
C4H6N2O |
98.1 |
C1C=CCN1N=O |
|
TCMBANKIN016721 |
phorbol diester |
|
|
|
CCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCC)O)C |
|
TCMBANKIN016741 |
PENTENE |
68814-91-5; 1-n-Pentene; 33004-03-4; 241997_ALDRICH; .alpha.-n-Amylene; alpha (C5-C9) olefins(petroleum); EINECS 203-694-5; Steam cracked pentenes (petroleum); alpha-Amylene; 1-Pentylene; alpha-n-Amylene; HSDB 5157; Pentylene; EINECS 246-916-6; Alkenes, C5-9 alpha-; Alkenes, C5; 1-PENTENE; NCGC00090824-01; HSDB 1086; Propylethylene; InChI=1/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H; LS-2082; 1-Pentene [UN1108] [Flammable liquid]; UN1108; pent-1-ene; n-amylene [UN1108] [Flammable liquid]; 109-67-1; 76971_FLUKA; 76969_FLUKA; 25377-72-4; Pentene (petroleum); EINECS 272-344-1; 328421_ALDRICH; 68527-11-7; EINECS 271-255-5; 8029-09-2 |
C5H10 |
70.13 |
CCCC=C |
|
TCMBANKIN017076 |
76897_FLUKA |
(2R,4R)-pentane-2,4-diol; ZINC00388354; (R,R)-(−)-2,4-Pentanediol; 243175_ALDRICH |
C5H12O2 |
104.15 |
CC(CC(C)O)O |
|
TCMBANKIN017180 |
tiglic acid |
NSC8999; trans-2,3-Dimethylacrylic acid; ST5307929; Tiglinic acid; alpha-Methylcrotonic acid, (E)-; trans-2-Methylcrotonic acid; EINECS 236-167-3; 2-methyl-2E-butenoic acid; 2-Butenoic acid, 2-methyl-, (E)-; alpha,beta-dimethyl acrylic acid; (E)-2-methylbut-2-enoate; 4-02-00-01552 (Beilstein Handbook Reference); A839954; alpha-methylcrotonic acid; EINECS 201-295-0; CHEBI:9592; Tiglinsaeure; C08279; (E)-2-Methylcrotonic acid; 2-Methyl-2-butenoic acid; 2-Butenoic acid, 2-methyl-; BRN 1236500; tiglicacid; trans-.alpha.,.beta.-Dimethylacrylic acid; (E)-2-Methyl-2-butenoic acid; NSC44235; 13201-46-2; (E)-2,3-Dimethylacrylic acid; 2-Methyl-2-butenoic acid, (E)-; FEMA No. 3599; (E)-2-Methylbut-2-enoic acid; Crotonic acid, 2-methyl-, (E)-; Cevadic acid; (2E)-2-methylbut-2-enoic acid; 89450_FLUKA; T35203_ALDRICH; 2-methylbut-2-enoic acid; 2,3-Dimethylacrylic acid, (E)-; AI3-36118; NSC 44235; 2-Butenoic acid, 2-methyl-, (E)- (9CI); (E)-2-methyl-2-Butenoate; 2-Butenoic acid, 2-methyl-, (2E)-; Tiglic acid; LMFA01020030; AC1ODZB2; trans-alpha,beta-Dimethylacrylic acid; W359904_ALDRICH; Crotonic acid, 2-methyl-; 80-59-1; trans-2-Methyl-2-butenoic acid; CHEBI:36432 |
C5H8O2 |
100.12 g/mol |
CC=C(C)C(=O)O |
|
TCMBANKIN017313 |
DIETHYLAMINE |
Ethanamine, N-ethyl-; EINECS 203-716-3; 109-89-7; Dwuetyloamina [Polish]; InChI=1/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H; N,N-Diethylamine; HSDB 524; CCRIS 4792; 471216_SIAL; AI3-24215; 31730_FLUKA; D0806_SIAL; Diethylamine [UN1154] [Flammable liquid]; N-ethylethanamine; 386456_ALDRICH; Dietilamina [Italian]; Diaethylamin [German]; NCGC00090709-01; UN1154; ST5214507 |
C4H11N |
73.14 |
CCNCC |
|
TCMBANKIN017447 |
2-Methylpentan-3-one |
04220_FLUKA; 2-METHYL-3-PENTANONE; InChI=1/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H; EINECS 209-288-4; 108707_ALDRICH; 3-Pentanone, 2-methyl-; 565-69-5; Ethyl isopropyl ketone; 04222_FLUKA |
C6H12O |
100.16 |
CCC(=O)C(C)C |
|
TCMBANKIN017617 |
PAC |
Kyselina fenyloctova [Czech]; HSDB 5010; NSC 125718; STK297835; CHEBI:30745; AI3-08920; Benzeneacetiic acid; NCI60_000596; 103-82-2; 2-Phenylacetic acid; Acetic acid, phenyl-; Phenylacetic acid (natural); 2-Phenylethanoic acid; InChI=1/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10; BRN 1099647; alpha-Toluic acid; NSC125718; Benzylformic acid; PHENYL-ACETIC ACID; Phenylacetic acid; FEMA No. 2878; P16621_ALDRICH; Phenylethanoic acid; .omega.-Phenylacetic acid; PAA; Benzylcarboxylic acid; .alpha.-Toluic acid; NCI60_002571; P6061_SIGMA; Benzenacetic acid; Phenyllacetic acid; AIDS-017618; Benzeneacetic acid; W287806_ALDRICH; 51146-16-8; 4-09-00-01614 (Beilstein Handbook Reference); C07086; W287814_ALDRICH; alpha-Tolylic acid; AIDS017618; NCGC00159477-02; EINECS 203-148-6; NSC139637 |
C8H8O2 |
136.15 |
C1=CC=C(C=C1)CC(=O)O |
|
TCMBANKIN017818 |
8-NONENOIC ACID |
LMFA01030028; 8-nonenoic acid; 8-nonenoicacid; non-8-enoic acid; 8-nonylenic acid; 31642-67-8 |
C9H16O2 |
156.22 |
C=CCCCCCCC(=O)O |
|
TCMBANKIN018022 |
Methyl formyl |
AI3-24137; 385395_ALDRICH; Acetaldehyde, dimethyl acetal; Dimethyl acetal; ZINC02034885; UN2377; W342602_ALDRICH; 3-Methyl-2,4-dioxapentane; 534-15-6; Dimethyl aldehyde; Ethylidene dimethyl ether; Ethane, dimethoxy-; FEMA No. 3426; EINECS 208-589-8; Acetaldehyde methyl acetal; 00120_FLUKA; HSDB 5427; Acetaldehyde dimethyl acetal; BRN 1697039; Ethane, 1,1-dimethoxy-; InChI=1/C4H10O2/c1-4(5-2)6-3/h4H,1-3H; ST5214518; 1,1-Dimethoxyethane [UN2377] [Flammable liquid]; 1,1-DIMETHOXYETHANE; Dimethylacetal; 25154-53-4 |
C4H10O2 |
90.12 |
CC(OC)OC |
|
TCMBANKIN018110 |
Methyl benzyl ether |
NSC 8058; Benzene, (methoxymethyl)-; .alpha.-Methoxytoluene; ST5410734; Ether, benzyl methyl (8CI); AI3-21993; Benzyl methyl ether; InChI=1/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H; 476730_ALDRICH; (methoxymethyl)benzene; EINECS 208-705-7; NSC8058; FR-1351; ZINC01586379; alpha-Methoxytoluene; Ether, benzyl methyl; 538-86-3; METHOXYMETHYLBENZENE; methyl benzyl ether |
C8H10O |
122.16 |
COCC1=CC=CC=C1 |
|
TCMBANKIN018286 |
(2S)-3-methoxypropane-1,2-diol |
71484-94-1; 1,2-Propanediol, 3-methoxy-, (S)-; ZINC01866958 |
C4H10O3 |
106.12 |
COCC(CO)O |
|
TCMBANKIN018488 |
NEH |
Etilamina [Italian]; Ethylamine; Aminoethane; CHEBI:15862; Etyloamina [Polish]; UN1036; Ethyl amine; QuadraPure EDA; 85404-22-4; AI3-24228; QuadraPure Bis(ethylamine); 668583_ALDRICH; C00797; UN2270; Aethylamine [German]; 395064_ALDRICH; 301264_ALDRICH; 85404-16-6; 395072_ALDRICH; EINECS 200-834-7; Monoethylamine; 02946_FLUKA; 471208_ALDRICH; HSDB 803; InChI=1/C2H7N/c1-2-3/h2-3H2,1H; Ethylamine [UN1036] [Flammable gas]; 1-Aminoethane; 43031-21-6; 75-04-7; Ethanamine; Ethylamine solution (72% or less); c0920; Ethylamine, aqueous solution with not <50% but not >70% ethylamine [UN2270] [Flammable liquid]; CCRIS 6261; Ethylamine solution |
C2H7N |
45.08 |
C(CS)N |
|
TCMBANKIN018731 |
Cyclobutanol, 1-ethyl- |
84256-19-9; 1-ethyl-1-cyclobutanol; 1-ethylcyclobutan-1-ol |
C6H12O |
100.16 g/mol |
CCC1(CCC1)O |
|
TCMBANKIN019306 |
Isoprenol |
Isopropenylethyl alcohol; 3-Methylbut-3-en-1-ol; 129402_ALDRICH; Methallyl carbinol; EINECS 212-110-8; Isobutenylcarbinol; NSC122673; NSC 122673; 66095_FLUKA; 3-METHYL-3-BUTEN-1-OL; 763-32-6; 3-Buten-1-ol, 3-methyl-; 2-Methyl-1-buten-4-ol; W519308_ALDRICH; 3-Isopentenyl alcohol; ZINC01712065; Methallylcarbinol |
C5H10O |
86.13 |
CC(=C)CCO |
|
TCMBANKIN019439 |
(2S)-heptane-1,2-diol |
|
C7H16O2 |
132.2 |
|
|
TCMBANKIN019599 |
(2S,4S)-2,4-dimethyl-1,3-dioxane |
|
C6H12O2 |
116.16 |
|
|
TCMBANKIN019814 |
GLV |
Formylformic acid; 2-oxo carboxylic acids; 260150_ALDRICH; Glyoxylic acid (8CI); Formic acid, formyl-; CHEBI:16891; GLYOXALATE, GLYOXYLATE; EINECS 206-058-5; Glyoxylic acid solution; Glyoxalsaeure; CHEBI:35910; glyoxylic acid; 298-12-4; Kyselina glyoxylova [Czech]; Acetic acid, oxo-; HSDB 5559; NSC 27785; .alpha.-Ketoacetic acid; Oxoacetic acid; Glyoxylsaeure; Formic acid, formyl; oxaldehydic acid; G1134_SIGMA; Acetic acid, oxo- (9CI); CCRIS 1455; alpha-Ketoacetic acid; WLN: VHVQ; BRN 0741891; NSC27785; glyoxalate; Acetic acid, oxo; Oxalaldehydic acid; 2-oxo monocarboxylic acids; 4-03-00-01489 (Beilstein Handbook Reference); GLYOX; Glyoxalic acid; 2-Oxo acid; Oxoethanoic acid; 50711_FLUKA; C00048 |
C2H2O3 |
74.04 |
C(=O)C(=O)O |
|
TCMBANKIN020946 |
(3S)-3-methyl-2,3-dihydrofuran |
|
C5H8O |
84.12 |
CC1COC=C1 |
|
TCMBANKIN020985 |
C2H5CH=CHCOOH |
(2E)-pent-2-enoic acid; 27516-53-6; Pentenoic acid; (E)-pent-2-enoic acid; (E)-Pent-2-en-1-oic acid; (E)-2-pentenoic acid; trans-2-Pentenoic acid; NSC 26713; CHEBI:38366; 2-pentenoic acid, (2E)-; beta-ethyl acrylic acid; trans-alpha,beta-penteneoic acid; CHEBI:35939; Pent-2-enoic acid; 13991-37-2; 2-Pentenoic acid, trans-; trans-pent-2-enoic acid; EINECS 237-791-9; 2-Pentenoic acid, (E)-; 259276_ALDRICH; LMFA01030005; (2E)-2-pentenoic acid; InChI=1/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3; EINECS 210-975-6 |
C5H8O2 |
100.12 g/mol |
CCC=CC(=O)O |
|
TCMBANKIN021167 |
Methylamine,N-(1-ethylpentylidene) |
|
C8H17N |
127.23 |
CCCCC(=NC)CC |
|
TCMBANKIN021524 |
3R-hydroxy-butanoic acid |
CHEBI:17066; (-)-3-Hydroxy-n-butyric acid; Butyric acid, 3-hydroxy-, D-(-)-; (R)-(-)-beta-Hydroxybutyric acid; (3R)-3-hydroxybutanoic acid; (3R)-3-hydroxybutyric acid; (R)-3-; (R)-beta-Hydroxybutyric acid; C01089; LMFA01050243; (R)-(-)-3-Hydroxybutyric acid; EINECS 210-909-6; 54920_FLUKA; (-)-beta-Hydroxybutyrate, D-; (R)-beta-Hydroxybutanoic acid; Butanoic acid, 3-hydroxy-, (R)-; (-)-3-Hydroxybutyric acid |
C4H8O3 |
104.1 |
CC(CC(=O)O)O |
|
TCMBANKIN021641 |
ganglioside |
|
C73H131N3O31 |
|
CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)NC(=O)C)OC5(CC(C(C(O5)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O |
|
TCMBANKIN021659 |
Octyl formate |
n-Octyl formate; 1-Octyl formate; FEMA No. 2809; W280909_ALDRICH; FORMIC ACID, OCTYL ESTER; NSC 404473; formic acid octyl ester; n-Octyl methanoate; Octyl alcohol, formate; EINECS 203-959-5; NSC404473; BRN 1755259; Octyl alcohol, formate (6CI); 112-32-3; Octyl methanoate |
C9H18O2 |
158.24 |
CCCCCCCCOC=O |
|
TCMBANKIN021778 |
2,2-DIMETHYLPENTANE |
EINECS 209-680-5; Pentane, 2,2-dimethyl-; 590-35-2; FR-2131; InChI=1/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H; 41060_FLUKA; 110671_ALDRICH |
C7H16 |
100.2 |
CCCC(C)(C)C |
|
TCMBANKIN021943 |
(3R)-3-methylpentan-1-ol |
ZINC02034637 |
C6H14O |
102.17 |
|
|
TCMBANKIN022181 |
(2R)-3-methylbutan-2-ol |
ZINC01696686; InChI=1/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H |
C5H12O |
88.15 |
CC(C)C(C)O |
|
TCMBANKIN022655 |
1-methoxy-1,2-butadiene |
|
C5H8O |
84.12 g/mol |
CC=C=COC |
|
TCMBANKIN022750 |
(2R)-2-methyloxolan-3-one |
(2R)-2-methyl-3-tetrahydrofuranone; (2R)-2-methyltetrahydrofuran-3-one; ZINC03880801 |
C5H8O2 |
100.12 |
|
|
TCMBANKIN022980 |
caprylic acid |
Octanoic acid (mixed isomers); AK405365; octoic acid; Sodium octanoate, 96%; Natrium octanoat; D05220; NoO notEa AAENI; W279927_ALDRICH; Sodium caprylate [NF]; KB-80641; ACMC-1BO0W; MCULE-8227046407; AIDS-006110; Caprylsaeure; V0353; Octylic acid; Enantic acid; Caprylic acid sodium salt; Sodium n-octanoate; Sodium octoate; Octanoic acid sodium salt; 68937-74-6; MolPort-006-113-836; EINECS 273-085-7; C-8 acid; 21639_FLUKA; HSDB 5862; AIDS006110; NCGC00090957-02; 0ctanoic acid; BYKRNSHANADUFY-UHFFFAOYSA-M; Acid C-8; caprylic acid, sodium salt; 124-07-2; Acido octanoico [Spanish]; Sodium octanoate, 96% 100g; Octic acid; 124-07-2 (Parent); W279900_ALDRICH; KS-00000YJH; capryloate; Sodium caprylate: Octanoic acid; NCGC00090957-01; Acide octanoique [French]; Sodium caprylate (NF); O0034; UNII-9XTM81VK2B; LS-98001; 18312-04-4; neo-fat 8; OCTANOIC ACID (CAPRYLIC ACID); SODIUM OCTANOATE; 1-heptanecarboxylic acid; NCIOpen2_009358; LS-691; O3907_ALDRICH; 1984/6/1; CHEBI:132100; MFCD00058511; AN-19785; ANW-13619; NCIOpen2_002902; octanoic acid; C2875_SIGMA; I14-14709; TR-009215; Caprylic acid (natural); NSC 5024; CHEBI:28837; Octanoic acid [USAN:INN]; LMFA01010008; n-octylic acid; TRA-0206488; Fatty acids, C6-1O; FEMA No. 2799; BRN 1747180; 4-02-00-00982 (Beilstein Handbook Reference); 9XTM81VK2B; EINECS 204-677-5; CHEMBL557076; Octanoic acid, sodium salt; EINECS 217-850-5; ST51037190; KSC490S9T; caprylic acid ; NSC5024; AI3-50473; SCHEMBL56211; Sodium Salt of Caprylic Acid; Octanoic acid (USAN); Hexacid 898; CH3-[CH2]6-COOH; Sodium caprylate; Sodium caprylate [USAN]; RTR-009215; 27633_RIEDEL; Kaprylsaeure; C06423; Fatty acids, C6-10; caprylicacid; Acidum octanocium [Latin]; HSDB 821; AI3-04162; Kyselina kaprylova [Czech]; n-octanoic acid; FT-0701289; n-caprylic acid; AS-17478; CCRIS 4689; PubChem12870; 21650_FLUKA; n-Octoic acid; W-109735; CTK3J0999; AKOS015901906; OCA; Octansaeure; SC-79959; n-Octanoic Acid Sodium Salt; WLN: QV7; CPD-195; Octanoic acid, sodium salt (1:1); DTXSID3027451; D08999 |
C8H16O2 |
144.21 g/mol |
CCCCCCCC(=O)O |
|
TCMBANKIN023041 |
2-Methylpent-2-en-1-ol |
(2E)-2-Methyl-2-penten-1-ol; (E)-2-methylpent-2-en-1-ol; 2-Methyl-2-pentene-1-ol; 1610-29-3; 2-Penten-1-ol, 2-methyl-, (E)-; EINECS 216-549-6; 2-PENTEN-1-OL, 2-METHYL-; 2-Methyl-2-penten-1-ol |
C6H12O |
100.16 |
CCC=C(C)CO |
|
TCMBANKIN023047 |
3-methylhexa-2,4-diene |
28823-42-9; (2E,4E)-3-methylhexa-2,4-diene; (4E)-3-methylhexa-2,4-diene; 2,4-Hexadiene, 3-methyl-; 3-Methyl-2,4-hexadiene |
C7H12 |
96.17 |
CC=CC(=CC)C |
|
TCMBANKIN023327 |
LEN |
Leucamine; Monoisopentylamine; 107-85-7; .gamma.-Isoamylamine; Isopentylamine; NSC 7907; Propylamine, 3,3-dimethyl-; 3-Methylbutylamine; 126810_ALDRICH; 3-METHYLBUTAN-1-AMINE; 3,3-Dimethylpropylamine; AI3-24040; FEMA No. 3219; Monoisoamylamine; 1-Amino-3-methylbutane; Isovalerylamine; 59102_FLUKA; Butylamine, 3-methyl-; NSC7907; Isoamylamine; EINECS 203-526-0; 1-Aminoisopentane; W321907_ALDRICH; Isobutylcarbylamine; 1-Butanamine, 3-methyl-; InChI=1/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H; 3-Methylbutanamine; gamma-Isoamylamine; C02640; 3-Methyl-1-butanamine |
C5H13N |
87.16 |
CC(C)CCN |
|
TCMBANKIN023328 |
BVE |
ZINC01586529; 110299_ALDRICH; BRN 1560217; NSC 8264; 08970_FLUKA; Vinyl n-butyl ether; 4-01-00-02052 (Beilstein Handbook Reference); Ethenyl n-butyl ether; Butil vinil eter [Spanish]; Butoxyethene; AI3-24225; Agrisynth BVE; n-Butyl vinyl ether; Ether butylvinylique [French]; 1-(vinyloxy)butane; InChI=1/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H; 1-ethenoxybutane; (Butyloxy)ethylene; WLN: 4O1U1; 111-34-2; HSDB 6384; Butyl vinyl ether, inhibited [UN2352] [Flammable liquid]; EINECS 203-860-7; NSC8264; Vinyl butyl ether; Ether, butyl vinyl; Butoxyethylene; n-butylvinylether; UN2352; 20680_FLUKA; Butane, 1-(ethenyloxy)-; Butyl vinyl ether |
C6H12O |
100.16 |
CCCCOC=C |
|
TCMBANKIN024310 |
[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methanol |
[(2R,5S)-5-(hydroxymethyl)-2-tetrahydrofuranyl]methanol; [(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]methanol; [(2R,5S)-5-methyloltetrahydrofuran-2-yl]methanol |
C6H8O3 |
128.13 |
|
|
TCMBANKIN024553 |
(2R)-butan-2-amine |
(R)-(−)-sec-Butylamine; 296643_ALDRICH; (R)-(−)-2-Aminobutane |
C4H11N |
73.14 |
CCC(C)N |
|
TCMBANKIN024587 |
DLA |
Lactic acid, D-; D-Lactic acid; (R)-Lactic acid; Propanoic acid, 2-hydroxy-,; CHEBI:42111; (-)-Lactic acid; EINECS 233-713-2; Poly-(L-lactide); 93578_FLUKA; Poly(L-lactide); 95468_FLUKA; (R)-2-Hydroxypropanoic acid; D-2-Hydroxypropanoic acid; (2R)-2-hydroxypropanoic acid; Propanoic acid, 2-hydroxy-, (2R)-; L0625_SIGMA; D-(-)-Lactic acid; P1566_SIGMA; (R)-2-Hydroxypropionsaeure; D-Milchsaeure; 1-Lactic acid; (R)-alpha-Hydroxypropionic acid; 531170_ALDRICH; (R)-(-)-Lactic acid; D-(−)-Lactic acid; Lactel BP-0600; C00256; D-2-Hydroxypropionic acid; (R)-2-Hydroxypropionic acid; Lactic acid (D); 94829_FLUKA; (R)-Milchsaeure; L-Lactide polymer; Propanoic acid, 2-hydroxy-, (R)-; (D)-(-)-Lactic acid |
C3H6O3 |
90.08 |
CC(C(=O)O)O |
|
TCMBANKIN024837 |
1,1-DIMETHOXY-2-METHYLPROPANE |
Isobutylaldehyde dimethyl acetal; 1,1-dimethoxy-2-methyl-propane; Propane, 1,1-dimethoxy-2-methyl-; 41632-89-7 |
C6H14O2 |
118.17 g/mol |
CC(C)C(OC)OC |
|
TCMBANKIN024904 |
L-()-2,3-Butanediol |
ZINC00901619; 300349_ALDRICH; CHEBI:16812; (S,S)-(+)-2,3-butanediol; (S,S)-Butane-2,3-diol; (2S,3S)-()-2,3-Butanediol; 18967_FLUKA; C03046; (2S,3S)-butane-2,3-diol; (S,S)-2,3-Butylene glycol; (S,S)-2,3-Butanediol; 19132-06-0 |
C4H10O2 |
90.12 |
CC(C(C)O)O |
|
TCMBANKIN025074 |
oct-1-en-2-ol |
|
C8H16O |
128.21 |
CCCCCCC(=C)O |
|
TCMBANKIN025131 |
3-Pentanol,2,3-dimethyl- |
|
C7H16O |
116.2 g/mol |
CCC(C)(C(C)C)O |
|
TCMBANKIN025246 |
Cyclooctene |
cis-Cyclooctene; 21395-82-4; NCIOpen2_000391; cyclooctene, (1E)-; 931-87-3; AI3-26693; (1E)-cyclooctene; NSC 72425; (7Z)-cyclooctene; 931-88-4; 29648_FLUKA; NSC72425; 125482_ALDRICH; Cyclooctene, (Z)-; (1Z)-cyclooctene; InChI=1/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1; cyclooctene, (1Z)-; 931-89-5; EINECS 213-243-4; (Z)-Cyclooctene; trans-Cyclooctene; EINECS 213-245-5; (7E)-cyclooctene; Cyclooctene, (E)- |
C8H14 |
110.2 |
C1CCCC=CCC1 |
|
TCMBANKIN025599 |
ISOHEPTANE |
NSC 24840; D 726; EINECS 250-610-8; Hexane, 2-methyl-; NSC24840; M49704_ALDRICH; 591-76-4; FR-2384; 67360_FLUKA; EINECS 209-730-6; 2-Methylhexane; 31394-54-4 |
C7H16 |
100.2 |
CCCCC(C)C |
|
TCMBANKIN025967 |
1-Penten-3-one |
E51309_ALDRICH; ZINC01574309; W338206_ALDRICH; FEMA No. 3382; EINECS 216-624-3; 05020_FLUKA; NSC81211; BRN 1735857; CCRIS 4223; 1-Pentene-3-one; NSC 81211; 1629-58-9; WLN: 2V1U1; pent-1-en-3-one; Ethylvinyl ketone; 4-01-00-03457 (Beilstein Handbook Reference); NCGC00090734-01; InChI=1/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H; Ethyl vinyl ketone; Ketone, ethyl vinyl |
C5H8O |
84.12 |
CCC(=O)C=C |
|
TCMBANKIN025988 |
LEUCINOL |
2-METHYL-BUTYLAMINE; (2S)-2-methylbutan-1-amine; [(2S)-2-methylbutyl]amine; 241407_ALDRICH; 66139_FLUKA; (S)-(−)-2-Methyl-1-butylamine; (S)-(−)-2-Methylbutylamine; (S)-1-Amino-2-methylbutane |
C5H13N |
87.16 |
CCC(C)CN |
|
TCMBANKIN026257 |
3,3-Dimethylpent-1-ene |
3,3-Dimethyl-1-pentene; NSC74136; 1-Pentene, 3,3-dimethyl-; 3404-73-7; EINECS 222-286-8 |
C7H14 |
98.19 |
CCC(C)(C)C=C |
|
TCMBANKIN026684 |
2-octen-4-ol |
|
C8H16O |
128.21 |
CCCCC(C=CC)O |
|
TCMBANKIN026714 |
Cyclooctadiene |
NSC105773; cycloocta-1,3-diene; InChI=1/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2; cis,cis-1,3-Cyclooctadiene; NSC 105773; UN2520; 274100_ALDRICH; (1Z,3Z)-cycloocta-1,3-diene; NSC72422; (3Z)-cycloocta-1,3-diene; 1700-10-3; 1,3-Cyclooctadiene, (Z,Z)-; 29965-97-7; 29570_FLUKA; ST5409770; NSC 72422; Cyclooctadienes [UN2520] [Flammable liquid]; AI3-26696; 1,3-cyclooctadiene, (1Z,3Z)-; (1Z,3E)-cycloocta-1,3-diene; 489395_ALDRICH; 1,3-Cyclooctadiene; 3806-59-5; EINECS 216-929-1 |
C8H12 |
108.18 |
C1CCC=CC=CC1 |
|
TCMBANKIN026730 |
3-Methylpent-2-ene |
3-METHYL-2-PENTENE (CIS); 3-METHYL-2-PENTENE; NSC 73912; 68490_FLUKA; 2-Pentene, 3-methyl-; 2-pentene, 3-methyl-, (2E)-; InChI=1/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4; 3-Methyl-trans-2-pentene; (E)-3-Methyl-2-pentene; (E)-3-Methylpent-2-ene; EINECS 210-465-3; EINECS 213-077-2; 616-12-6; NSC73912; 2-Pentene, 3-methyl-, (E)- (8CI)(9CI); (2E)-3-methylpent-2-ene; trans-3-Methyl-2-pentene; 3-Methyl-2-pentene, mixture of cis and trans; 111775_ALDRICH; 922-61-2; 2-Pentene, 3-methyl-, (E)- |
C6H12 |
84.16 |
CCC(=CC)C |
|
TCMBANKIN026781 |
ZINC04521547 |
(3R)-hept-1-en-3-ol |
C7H14O |
114.19 |
|
|
TCMBANKIN026954 |
propyl cyclopentane |
Propylcyclopentane; 82180_FLUKA; ST5411564; WLN: L5TJ A3; Cyclopentane, propyl-; n-Propylcyclopentane; BRN 1900338; NSC 73947; EINECS 218-042-5; 4-05-00-00125 (Beilstein Handbook Reference); NSC73947; 1-Cyclopentylpropane; InChI=1/C8H16/c1-2-5-8-6-3-4-7-8/h8H,2-7H2,1H; 2040-96-2 |
C8H16 |
112.21 |
CCCC1CCCC1 |
|
TCMBANKIN027094 |
(1R,2R,3S)-3-methylcyclopentane-1,2-diol |
ZINC04577766 |
C6H12O2 |
116.16 |
|
|
TCMBANKIN027230 |
Cyclohexanol,4-methoxy |
|
C7H14O2 |
130.18 |
COC1CCC(CC1)O |
|
TCMBANKIN027454 |
trans-1,2-Cyclopentanediol |
()-trans-1,2-Cyclopentanediol; 459259_ALDRICH; 29722_FLUKA; 1,2-Cyclopentanediol, trans-; 361445_ALDRICH; 29725_FLUKA; NSC15389; 5057-99-8; (1R,2R)-cyclopentane-1,2-diol; (1R,2R)-trans-1,2-Cyclopentanediol |
C5H10O2 |
102.13 |
C1CC(C(C1)O)O |
|
TCMBANKIN027675 |
PGR |
4254-14-2; ZINC00895318; (R)-Propylene glycol; 82284_FLUKA; CHEBI:28972; C02912; R-1,2-PROPANEDIOL; 2,3-PROPANDIOL; (R)-(−)-1,2-Propanediol; HP3; (R)-(−)-Propylene glycerol; (R)-(−)-Propylene glycol; 540242_ALDRICH; (R)-Propane-1,2-diol; NSC90793; (2R)-propane-1,2-diol; (R)-1,2-Propanediol |
C3H8O2 |
76.09 |
CC(CO)O |
|
TCMBANKIN027687 |
ZINC01692449 |
(3R)-pent-1-en-3-ol |
C5H10O |
86.13 |
|
|
TCMBANKIN027691 |
Butylacetat |
n-Butyl ethanoate; Octan n-butylu [Polish]; InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H; W217409_ALDRICH; EINECS 204-658-1; 496162_ALDRICH; BRN 1741921; Butyle (acetate de) [French]; n-Butylacetate; acetic acid butyl ester; 1-Butyl acetate; 33201_RIEDEL; Butylacetat [German]; n-Butyl acetate [UN1123] [Flammable liquid]; Acetic acid n-butyl ester; n-Butyl acetate (natural); 537454_ALDRICH; HSDB 152; NSC9298; 270687_ALDRICH; AI3-00406; Butylester kyseliny octove [Czech]; 402842_SIAL; Butyl acetate, n-; 287725_ALDRICH; 4-02-00-00143 (Beilstein Handbook Reference); NCGC00091573-01; 45860_FLUKA; Acetate de butyle [French]; Butile (acetati di) [Italian]; n-Butyl acetate; Octan n-butylu; 73285_FLUKA; C12304; Butyle(acetate de); 442666U_SUPELCO; CCRIS 2287; WLN: 4OV1; Butylacetaten [Dutch]; Butile(acetati di); Butylacetaten; ACETIC ACID,BUTYL ESTER; Acetic acid, butyl ester; NSC 9298; Acetate de butyle; W217417_ALDRICH; Butyl acetate; Butyl ethanoate; LS-684; ZINC01699905; 123-86-4 |
C6H12O2 |
116.16 |
CCCCOC(=O)C |
|
TCMBANKIN027934 |
ZINC02038914 |
(3S)-2-methylpent-1-en-3-ol |
C56H93N19O25 |
1432.45 |
|
|
TCMBANKIN028235 |
Methylenecyclopentane |
methylidenecyclopentane; EINECS 216-203-4; methylene cyclopentane; Methylene cyclopentane; 1528-30-9; InChI=1/C6H10/c1-6-4-2-3-5-6/h1-5H; 251356_ALDRICH; Cyclopentane, methylene- |
C6H10 |
82.14 |
C=C1CCCC1 |
|
TCMBANKIN028437 |
2-Methylene cyclopentanol |
|
C6H10O |
98.14 g/mol |
C=C1CCCC1O |
|
TCMBANKIN028756 |
isobutyric acid |
Kyselina isomaselna [Czech]; 240168_ALDRICH; Ammonium isobutyrate; 3F03259M1O; Dimethylacetic acid; NSC 62780; Propionic acid, 2-methyl-; Caswell No. 503AA; Propanoic acid,2-methyl-, ammonium salt (1:1); Isobutyric acid; Iso-butyric acid; 2-Methylpropanoic acid; 22228-82-6; Cenex RP b2; W222208_ALDRICH; EINECS 244-850-2; 2-methyl-propanoic acid; AC1L512W; Acetic acid, dimethyl-; iso-C3H7COOH; Caswell No. 044AA; Isobutyric acid (natural); ammonium 2-methylpropanoate; alpha-Methylpropanoic acid; Isobutyric acid [UN2529] [Flammable liquid]; EINECS 201-195-7; EPA Pesticide Chemical Code 101502; Propanoic acid, 2-methyl-, ammonium salt (1:1); Methylpropanoic acid, 2-; Isobuttersaeure; DTXSID2066771; CTK4E8936; AC1Q229N; 2-METHYL-PROPIONIC ACID; Tenox IBP-2; Tenox EBP 2; Isopropylformic acid; UN2529; 79-31-2; Isobutyrate; 2-Methylpropionic acid; LMFA01020071; Isobutanoate; .alpha.-Methylpropanoic acid; Tenox IBP-2 Grain Pr.; EPA Pesticide Chemical Code 101501; .alpha.-Methylpropionic acid; Isobutanoic acid; CHEBI:16135; ALQ; BRN 0635770; GR-9234; Propanoic acid, 2-methyl-, ammonium salt; isobutyricacid; 58360_FLUKA; InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6; I1754_SIGMA; Propanoic acid, 2-methyl-; 79-31-2 (Parent); WLN: QVY1&1; C02632; FEMA No. 2222; 46935U_SUPELCO; NSC62780; 4-02-00-00843 (Beilstein Handbook Reference); azanium 2-methylpropanoate; alpha-Methylpropionic acid; SCHEMBL929931; ISB; AI3-24260; W222216_ALDRICH; HSDB 5228; UNII-3F03259M1O |
C4H8O2 |
88.11 |
CC(C)C(=O)O |
|
TCMBANKIN029080 |
2-methyl-3-butene-1-ol |
|
C5H10O |
86.13 |
CC(CO)C=C |
|
TCMBANKIN029312 |
melanin |
AKOS030232017; FT-0628190; 6,14-dimethyl-4,12-diazapentacyclo[8.6.1.1;{2,5}.0;{13,17}.0;{9,18}]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone; CHEBI:89634; D0WQ4G; API0003281; CTK8G0775; 8049-97-6; XUMBMVFBXHLACL-UHFFFAOYSA-N; Phaeomelanins; Melanin; 6,14-dimethyl-4,12-diazapentacyclo[8.6.1.1^{2,5}.0^{13,17}.0^{9,18}]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone; GTPL5415; Melanin from Sepia officinalis |
C18H10N2O4 |
318.3 g/mol |
CC1=C2C3=C(C4=CNC5=C(C(=O)C(=O)C(=C45)C3=CN2)C)C(=O)C1=O |
|
TCMBANKIN029417 |
ZINC02034518 |
(2S)-but-3-en-2-ol |
C4H8O |
72.11 |
CC(C=C)O |
|
TCMBANKIN029545 |
methyl hept-2-enoate |
2-Heptenoic acid, methyl ester; Methyl (2E)-2-heptenoate; methyl (E)-hept-2-enoate; (E)-hept-2-enoic acid methyl ester; hept-2-enoic acid methyl ester |
C8H16O2 |
144.21 |
CCCCC=CC(=O)OC |
|
TCMBANKIN029647 |
putrescine |
2-Butynedinitrile; Spectrum2_001935; NSC5861; Tetramethyldiamine; PUTRESCINE; KBio2_007262; Lopac-P-7505; AC1NS0M0; KBio2_004694; Sous-azote de carbone [French]; 1,4-Diamino-n-butane; NCGC00015837-01; SCHEMBL313163; CHEMBL1255652; KBio1_000716; 2-Butynedinitrile (9CI); InChI=1/C4H12N2/c5-3-1-2-4-6/h1-6H; ACETYLENEDICARBONITRILE; PUT; 32791_FLUKA; NINDS_000716; Spectrum_001646; KBio3_002375; Putrescin; BSPBio_002875; 4-aminobutylamine; D13208_ALDRICH; 333-93-7 (DIHYDROCHLORIDE); ZERO/005579; 1,4-butanediamine; .alpha.,.omega.-Butanediamine; Putreszin; A821757; CCRIS 6751; Spectrum3_001198; SDCCGMLS-0066929.P001; ZINC02039983; AI3-25444; Lopac0_000972; AIDS081098; 1071-98-3; 1,4-diaminobutane; but-2-ynedinitrile; VZ34178; Dicyanoacetylene; H2N(CH2)4NH2; Dicyanoethyne; IDI1_000716; butane-1,4-diamine; Butylenediamine; NCGC00180885-01; BRN 0605282; 32790_FLUKA; 4-04-00-01283 (Beilstein Handbook Reference); BUTANE,1,4-DIAMINO; KBioSS_002126; butane-1,4-diamine hydrochloride; KBioGR_000933; 1,4-Butylenediamine; 1,4-Tetramethylenediamine; Spectrum5_001005; CHEBI:17148; NSC-5861; SPBio_001969; NSC60545; alpha,omega-Diamine; KBio2_002126; C02896; 110-60-1; C00134; tetramethylenediamine; AIDS-081098; DivK1c_000716; Spectrum4_000237; EINECS 203-782-3; NCI60_004431; BRN 1735267; NSC 60545 |
C4N2 |
76.06 |
C(CCN)CN |
|
TCMBANKIN029853 |
(S)-2-Aminobutanoate |
(S)-2-Aminobutanoic acid; (2S)-2-aminobutanoic acid; L-(+)-2-aminobutyric acid; CHEBI:35619; L-2-Aminobuttersaeure; (S)-2-Aminobutyric acid; Butanoic acid, 2-amino-, (2S)-; L-alpha-Aminobutyrate; EINECS 216-083-3; A1879_SIGMA; L-alpha-Aminobutyric acid; Butanoic acid, 2-amino-, (S)- (9CI); (2S)-2-aminobutyric acid; A2536_SIGMA; NSC 97060; LMFA01100034; Butyric acid, 2-amino-, L- (8CI); 2S-amino-butanoic acid; nchembio856-comp2; C02356; (S)-2-Amino-butyric acid; (-)-2-Aminobutyric acid; L-alpha-Amino-n-butyric acid |
C4H9NO2 |
103.12 |
CCC(C(=O)O)N |
|
TCMBANKIN029976 |
trans-1-methyl-2-(2'-propenyl)cyclopropane |
|
C7H12 |
96.17 g/mol |
CC1CC1CC=C |
|
TCMBANKIN030022 |
(2R)-1-ethoxypropan-2-ol |
ZINC02039437 |
C5H12O2 |
104.15 |
CCOCC(C)O |
|
TCMBANKIN030052 |
(2S)-2-ethoxypentane |
|
C7H16O |
116.2 |
|
|
TCMBANKIN030237 |
androgen |
|
C22H32O3 |
344.5 g/mol |
CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
|
TCMBANKIN030337 |
TBU |
Trimethylcarbinol; 360538_SIAL; tertiary-Butanol; AI3-01288; T-BUTYL ALCOHOL; Butanol tertiaire [French]; c0516; Methyl-2-propanol; 2-Methyl-2-propanol solution; BRN 0906698; Methanol, trimethyl-; 1,1-Dimethylethanol; Trimethyl methanol; InChI=1/C4H10O/c1-4(2,3)5/h5H,1-3H; tert-Butyl alcohol; Trimethylmethanol; 442790_SUPELCO; tert-butylalcohol; 2-Methylpropan-2-ol; 2-Methyl-2-propanol; t-Butanol; 449032_ALDRICH; tert-Butanol; 33067_RIEDEL; EINECS 200-889-7; CHEBI:26878; t-Butylalkohol; 308250_ALDRICH; NCI-C55367; B85927_SIAL; Dimethylethanol; 4-01-00-01609 (Beilstein Handbook Reference); TERTIARY-BUTYL ALCOHOL; 19460_FLUKA; t-Butyl hydroxide; tertiary alcohol; <i>tert</i>-Butyl alcohol; 471712_ALDRICH; CCRIS 4755; Caswell No. 124A; tertiary alcohols; 75-65-0; Alcool butylique tertiaire [French]; HSDB 50; t-butyl alchohol; CHEBI:45895; Arconol; Trimethyl carbinol; ZINC01680021; 50621_FLUKA; (CH3)3C-OH; tert-Butanol solution; 2-Propanol, 2-methyl- |
C4H10O |
74.12 |
CC(C)(C)O |
|
TCMBANKIN030485 |
1-PENTANOL,2-METHYL |
InChI=1/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H; (2R)-2-methylpentan-1-ol; ZINC01693356 |
C6H14O |
102.17 |
CCCC(C)CO |
|
TCMBANKIN030614 |
ZINC02037591 |
(3S)-hex-1-en-3-ol |
C6H12O |
100.16 |
CCCC(C=C)O |
|
TCMBANKIN030843 |
tellimagrandinII |
BDBM50269544; D0E6SO; tellimagrandin ii; Tellimagrandin II; CHEMBL510512 |
C41H30O26 |
938.7 g/mol |
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O |
|
TCMBANKIN031037 |
Neohexane |
39740_FLUKA; 75-83-2; CCRIS 6019; AI3-16043; EINECS 200-906-8; D151408_ALDRICH; NCGC00091659-01; Butane, 2,2-dimethyl-; 2,2-Dimethylbutane; 39730_FLUKA; WLN: 2X1&1&1; HSDB 75; InChI=1/C6H14/c1-5-6(2,3)4/h5H2,1-4H; NSC74126; NSC 74126 |
C6H14 |
86.18 |
CCC(C)(C)C |
|
TCMBANKIN031182 |
ethenoxycyclohexane |
Vinylcyclohexyl ether; NSC75856; 409936_ALDRICH; EINECS 218-561-7; Cyclohexane, (ethenyloxy)-; 2182-55-0; Cyclohexyl vinyl ether; (Vinyloxy)cyclohexane; ST5409252 |
C8H14O |
126.2 |
C=COC1CCCCC1 |
|
TCMBANKIN031363 |
dimethyl sulfoxide |
|
C2H6OS |
78.14 g/mol |
CS(=O)C |
|
TCMBANKIN031702 |
M-COUMARIC ACID |
2-propenoic acid, 3-(3-hydroxyphenyl)-, (2E)-; m-coumaricacid; 3-(3-hydroxyphenyl)acrylic acid; CINNAMIC ACID,3-HYDROXY (TRANS); 2-Propenoic acid, 3-(3-hydroxyphenyl)-; 588-30-7; NSC50308; 3-(3-hydroxyphenyl)prop-2-enoic acid; (2E)-3-(3-hydroxyphenyl)acrylic acid; NSC 50308; 3-Coumaric acid; (E)-3-(3-hydroxyphenyl)acrylic acid; Cinnamic acid, m-hydroxy-; (E)-3-(3-Hydroxyphenyl)-2-propenoic acid; C12621; H23007_ALDRICH; InChI=1/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4; (E)-3-(3-hydroxyphenyl)prop-2-enoic acid; 3-Hydroxycinnamic acid; 2-Propenoic acid, 3-(3-hydroxyphenyl)-, (E)-; trans-3-Hydroxycinnamic acid; EINECS 209-615-0; m-Hydroxycinnamic acid; trans-3-Hydroxycinnamate; NSC 28956; 28180_FLUKA; NSC28956; InChI=1/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12; m-coumaric acid; AI3-32389; 2-Propenoic acid, 3-(3-hydroxyphenyl)- (9CI) |
C9H8O3 |
164.16 |
C1=CC(=CC(=C1)O)C=CC(=O)O |
|
TCMBANKIN031971 |
pent-3-en-2-one |
BRN 1633505; (E)-pent-3-en-2-one; ZINC05227717; (3E)-pent-3-en-2-one; NSC 61468; 3-penten-2-one, (3E)-; AI3-37794; FEMA No. 3417; W341703_ALDRICH; 3-PENTEN-2-ONE (TRANS); 3-Penten-2-one, (E)-; 145017_ALDRICH; 3-01-00-02985 (Beilstein Handbook Reference); EINECS 210-888-3; InChI=1/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3; 3102-33-8; (E)-3-Penten-2-one; 77042_FLUKA |
C5H8O |
84.12 |
CC=CC(=O)C |
|
TCMBANKIN032254 |
(2S)-2,3-dihydroxypropanoic acid |
|
C3H6O4 |
106.08 |
C(C(C(=O)O)O)O |
|
TCMBANKIN032380 |
salicylaldoxime |
|
C7H7NO2 |
137.14 |
C1=CC=C(C(=C1)C=NO)O |
|
TCMBANKIN032527 |
2-methylbut-2-en-1-ol |
EINECS 225-127-0; (E)-2-methylbut-2-en-1-ol; 2-METHYL-2-BUTEN-1-OL; 2-Buten-1-ol, 2-methyl-; 4675-87-0 |
C5H10O |
86.13 |
CC=C(C)CO |
|
TCMBANKIN032729 |
3,3-dimethyl-2,4-dihydropyrazole |
5,5-Dimethyl-.DELTA.[2]-pyrazoline; 1H-Pyrazole, 4,5-dihydro-5,5-dimethyl- |
C5H10N2 |
98.15 g/mol |
CC1(CC=NN1)C |
|
TCMBANKIN032997 |
allyloxyethylene |
Vinyl allyl ether; 1-Propene, 3-(ethenyloxy)- (9CI); BRN 1697665; Allyl vinyl ether; WLN: 1U2O1U1; 3917-15-5; 3-ethenoxyprop-1-ene; EINECS 223-482-6; NSC 6270; AI3-25058; 1-Propene, 3-(ethenyloxy)-; 4-01-00-02085 (Beilstein Handbook Reference); Ether, allyl vinyl; NSC6270; ZINC01693372; Allyl ethenyl ether |
C5H8O |
84.12 |
C=CCOC=C |
|
TCMBANKIN033165 |
2-Methylpenta-1,3-diene |
EINECS 214-264-1; 1,3-pentadiene, 2-methyl-, (3E)-; 1,3-Pentadiene, 2-methyl-, (E)-; EINECS 213-136-2; (E)-CH2=C(CH3)CH=CHCH3; 926-54-5; 2,4-Dimethyl-1,3-butadiene; NSC 123452; InChI=1/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3/b5-4; trans-2-Methylpenta-1,3-diene; 1118-58-7; 1,3-Pentadiene, 2-methyl-; 2-METHYL-1,3-PENTADIENE; NSC123452; 1,3-Dimethyl-1,3-butadiene; (3E)-2-methylpenta-1,3-diene |
C6H10 |
82.14 |
CC=CC(=C)C |
|
TCMBANKIN033471 |
ZINC01690417 |
(3R)-hexan-3-ol |
C6H14O |
102.17 |
|
|
TCMBANKIN033577 |
ZINC02571348 |
(3S)-non-1-en-3-ol |
C9H18O |
142.24 |
|
|
TCMBANKIN033702 |
citric acid |
InChI=1/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12; NCGC00090954-02; NCGC00090954-01; HSDB 911; CIT; Citric acid (8CI); BRN 0782061; NCIStruc2_000099; 27109_RIEDEL; AIDS-017733; 1,2,3-PROPANETRICARBOXYLIC ACID,2-HYDROXY (CITRIC ACID); citr; 27488_FLUKA; FEMA No. 2306; E 330; 27485_FLUKA; 27487_FLUKA; 77-92-9; C2404_SIGMA; 2-Hydroxytricarballylic acid; NCIOpen2_004502; F 0001 (polycarboxylic acid); EPA Pesticide Chemical Code 021801; AI3-06286; 245654-34-6; 1,2,3-Propanetricarboxylic acid, 2-hydroxy-; Citretten; Kyselina citronova; 2-hydroxypropane-1,2,3-tricarboxylic acid; Anhydrous citric acid; Citrate standard for IC; C83155_SIAL; LS-2418; WLN: QV1XQVQ1VQ; 1,2,3-Propanetricarboxylic acid, 2-hydroxy- (9CI); NSC30279; .beta.-Hydroxytricarballylic acid; NSC 626579; FLC; NCI60_022579; LS-3185; 2-hydroxy-1,2,3-propanetricarboxylic acid; Caswell No. 221C; EINECS 201-069-1; 43136-35-2; 251275_SIAL; 38730_FLUKA; C4540_SIGMA; FEMA Number 2306; 4-03-00-01272 (Beilstein Handbook Reference); 3-Carboxy-3-hydroxypentane-1,5-dioic acid; Citric acid anhydrous (JAN); C00158; 12262-73-6; 240621_ALDRICH; AIDS017733; MLS001066346; Kyselina 2-hydroxy-1,2,3-propantrikarbonova [Czech]; 2-Hydroxypropanetricarboxylic acid; CCRIS 3292; KBio3_002740; NSC626579; D00037; SBB008922; Kyselina citronova [Czech]; Aciletten; NSC 30279; Anhydrous citric acid (JP15); 46933_SUPELCO; NCIOpen2_004062; Citric acid solution; CHEBI:30769; Citro; BSPBio_003240; NCIStruc1_000057; Uro-trainer; Citric acid, anhydrous (USP); W230618_ALDRICH; Citric acid [USAN:JAN]; H3cit; Chemfill; Hydrocerol A; Suby G; Oprea1_502996; Citric acid, anhydrous; SMR000471840; Citric acid anhydrous; Spectrum3_001850 |
C6H8O7 |
192.12 |
C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
|
TCMBANKIN034198 |
acetic acid |
AI3-02394; NSC132953; Azijnzuur [Dutch]; Acido acetico [Italian]; Essigsaeure [German]; InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4; Pyroligneous acid; CARBOXYMETHYL GROUP; Caswell No. 003; 45727_FLUKA; A8976_SIAL; A6283_SIAL; 64-19-7; BRN 0506007; 318590_ALDRICH; 45730_FLUKA; 77671-22-8; cellulose diacetate; Acetic acid solution, with more than 10% and less than 50% acid, by mass [UN2790] [Corrosive]; 9035-69-2; 49199_FLUKA; Cellulose diacetate [USAN]; Cellulose, diacetate; FEMA Number 2006; W200611_ALDRICH; CBM; 320099_SIAL; Methanecarboxylic acid; 45726_FLUKA; NCIOpen2_000682; Glacial acetic acid; Acetic acid (JP15/NF); ethanoic acid; 207004-55-5; Otic Tridesilon; 40209_RIEDEL; Acetic acid, propionic acid distillate; NSC406306; 537020_SIAL; 45725_FLUKA; WLN: QV1; LS-2535; Acetic acid, glacial; 27225_RIEDEL; Ethylic acid; AKOS006290339; 07692_FLUKA; ACY; NSC 132953; ACT; 33206_RIEDEL; EPA Pesticide Chemical Code 044001; 380121_SIAL; W200603_ALDRICH; Acetic acid, glacial (USP); ethoic acid; Acetic acid, glacial or acetic acid solution, >80% acid, by mass [UN2789] [Corrosive]; 34254_RIEDEL; 4-02-00-00094 (Beilstein Handbook Reference); 46928_SUPELCO; Acido acetico; C00033; Acetasol (TN); Acetic acid solution, not less than 50% but more than 80% acid, by mass [UN2790] [Corrosive]; Carboxylic acids, C2-3; CHEBI:15366; Acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid; 45732_FLUKA; Acetic acid [JAN]; Octowy kwas [Polish]; Essigsaeure; Vinegar acid; 242853_SIAL; Glacial acetic acid (JP15); 38050_RIEDEL; A9967_SIAL; LS-1541; 38051_RIEDEL; Kyselina octova [Czech]; ST5213882; Acetate standard for IC; 33209_RIEDEL; UN2790; 40273_RIEDEL; Azijnzuur; Acetic acid solution; Acetic acid (natural); D00010; LMFA01010002; 27218_RIEDEL; Acetic acid, aqueous solution; HSDB 40; 68475-71-8; 34255_RIEDEL; NCIOpen2_000659; 34256_RIEDEL; FEMA No. 2006; CCRIS 5952; Acide acetique; Acetic acid, diluted; Acetasol; Octowy kwas; 71251_FLUKA; 338826_SIAL; EINECS 200-580-7; 13669_FLUKA; Acide acetique [French]; CH3-COOH; 45754_FLUKA; 157090-22-7; Acetic acid, water solutions; UN2789 |
C5H10O3 |
118.13 |
CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl |
|
TCMBANKIN034340 |
HPN |
Heptamide; Heptanamide; Enanthamide; NSC3819; Enanthic acid amide; 628-62-6 |
C7H15NO |
129.2 |
CCCCCCC(=O)N |
|
TCMBANKIN034444 |
HEPTENE |
HSDB 1078; 51856_FLUKA; EINECS 246-871-2; n-Heptene [UN2278] [Flammable liquid]; UN2278; 592-76-7; 262269_ALDRICH; 442267U_SUPELCO; EINECS 209-767-8; NSC74130; H3208_ALDRICH; 1-Heptene; hept-1-ene; Heptylene; 68526-53-4; Alkenes, C6-8, C7-rich; EINECS 271-209-4; 1-n-Heptene; 25339-56-4; n-Hept-1-ene; NSC 74130; Heptene (petroleum); Heptene (mixed cis and trans) |
C7H14 |
98.19 g/mol |
CCCCCC=C |
|
TCMBANKIN034713 |
ZINC02031653 |
558036_ALDRICH; (2R)-pent-4-en-2-ol; (R)-(−)-4-Penten-2-ol |
C5H10O |
86.13 |
CC(CC=C)O |
|
TCMBANKIN035048 |
MNN |
(S)-(-)-mandelonitrile; (-)-mandelonitrile; InChI=1/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10; (2S)-2-hydroxy-2-phenylacetonitrile; (S)-Mandelonitrile; (2S)-hydroxy(phenyl)acetonitrile; CHEBI:36941; l-mandelonitrile; (S)-Benzaldehyde cyanohydrin; (S)-MANDELIC ACID NITRILE; (2S)-2-hydroxy-2-phenyl-acetonitrile; (S)-HYDROXY(PHENYL)ACETONITRILE; C02615; (2S)-2-hydroxy-2-phenyl-ethanenitrile |
C14H17NO6 |
295.29 |
C1=CC=C(C=C1)C(C#N)O |
|
TCMBANKIN035301 |
2,3-dimethyl-1-pentene |
|
C7H14 |
98.19 |
CCC(C)C(=C)C |
|
TCMBANKIN035854 |
Ethyl 3-butenoate |
3-Butenoic acid, ethyl ester; NSC44507; 1617-18-1; but-3-enoic acid ethyl ester; AI3-17636; ethyl but-3-enoate |
C6H10O2 |
114.14 |
CCOC(=O)CC=C |
|
TCMBANKIN036662 |
IPA |
Isopropyl alcohol (manufacturing-strong acid process only); sec-Propyl alcohol; 34965_RIEDEL; i-Propanol [German]; 278475_ALDRICH; 443425_SIAL; CHEBI:17824; Caswell No. 507; Alcool isopropilico; 563935_ALDRICH; Alcosolve 2; EPA Pesticide Chemical Code 047601; Alcool isopropylique; Takineocol; 442369_SUPELCO; c0519; NCGC00090917-01; Isopropyl alcohol [USAN]; Ethyl, 1-hydroxy-1-methyl-; Isopropanol; 92438_FLUKA; EINECS 200-661-7; Combi-schutz; N-Term LC Solvent System B; Avantine; ZINC00901159; 67-63-0; 673773_ALDRICH; sec-propanol; i-Propylalkohol [German]; AIDS-186244; 40279_RIEDEL; Secondary alcohol; 2-Hydroxypropane; BRN 0635639; LS-1565; Alcojel; D00137; Lutosol; 2-Propyl alcohol; 4-01-00-01461 (Beilstein Handbook Reference); Isopropanol (JP15); I9782_SIGMA; 1-Methylethanol; 154970_SIAL; Alcool isopropilico [Italian]; Isopropryl alcohol; 1-Methylethyl alcohol; 8013-70-5; NSC135801; HSDB 116; Isopropyl alcohol (USP); 439207_ALDRICH; 40343_RIEDEL; 34895_RIEDEL; UN1219; CCRIS 2308; WLN: QY1&1; 59309_FLUKA; Spectrar; Alkolave; FEMA No. 2929; I9516_SIGMA; Alcool isopropylique [French]; 2-Propanol : Water 31:69 with 0.1% buffer; i-Propyl alcohol; secondary alcohols; Alcolo; Alcohol, rubbing; Iso-propylalkohol; Isopropenol; Imsol A; 40314_RIEDEL; Iso-propylalkohol [German]; C01845; i-propanol; Arquad DMCB; 1-Hydroxy-1-methylethyl; Lavacol; Sterisol hand disinfectant; NSC 135801; 2-Propanol solution; Isopropyl alcohol; AI3-01636; Visco 1152; 34959_RIEDEL; 40301_RIEDEL; 91237_FLUKA; FEMA Number 2929; Isopropylalkohol; 2-PROPANOL, ISOPROPANOL; IOH; 534021_ALDRICH; Isopropyl alcohol (only persons who manufacture by the strong acid process are subject, supplier notification not required); 24137_RIEDEL; i-Propylalkohol; 190764_SIAL; Isopropyl alcohol, rubbing; CHEBI:35681; Rubbing alcohol; Isopropyl alcohol (manufacture strong-acid process); 59304_FLUKA; 34863_SIAL; Isohol; Isopro; I9030_SIGMA; 33539_RIEDEL; ST5214369; 650447_ALDRICH; Hartosol; Avantin; AIDS186244; Isopro (TN); Petrohol; 5131-95-3; 2-Propanol; W292907_ALDRICH; R-CHOH-R'; n-Propan-2-ol; Iso-propyl alcohol; Isopropanol or isopropyl alcohol [UN1219] [Flammable liquid]; Dimethylcarbinol; Propan-2-ol; InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H; Alcosolve; Propol; 675431_ALDRICH; 437522_SIAL; 40219_RIEDEL; 109827_ALDRICH |
C3H8O |
60.1 |
CC(C)O |
|
TCMBANKIN036684 |
3-methyl-2,3-dihydro-furan |
|
C5H8O |
84.12 |
CC1COC=C1 |
|
TCMBANKIN036738 |
(E)-oct-2-en-4-one |
2-Octen-4-one; (2E)-2-Octen-4-one; 4643-27-0; Propenyl butyl ketone; ZINC02600020; 2-Octen-4-one (natural); EINECS 225-071-7; FEMA No. 3603; Butyl propenyl ketone |
C8H14O |
126.2 |
CCCCC(=O)C=CC |
|
TCMBANKIN036840 |
protocatechuic acid |
3,4-Dihydroxybenzoic acid; MLS000737807; c0120; 4-Carboxy-1,2-dihydroxybenzene; InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11; NSC 16631; ZB000710; Benzoic acid, 3,4-dihydroxy-; 4,5-dihydroxybenzoate; 3,4-dihydrobenzoic acid; DHB; DB03946; AC1N59J2; CCRIS 6291; AIDS082396; Protocatehuic acid; BRN 1448841; protocatechuicacid; 3,4-dihydroxybenzoate; SMR000528167; D-3487; EINECS 202-760-0; 4,5-Dihydroxybenzoic acid; C00230; Catechol-4-carboxylic Acid; 3,4-DHBA; Protocatechuic acid polymer; CHEBI:36241; 2buv; 4-10-00-01459 (Beilstein Handbook Reference); AIDS-082396; 99-50-3; A846038; AIDS002961; Oxidative polymer of protocatechuic acid; 37580_FLUKA; AIDS-002961; 1ykp; Benzoic acid, 3,4-dihydroxy- (9CI); NSC16631; 3,4-bis(oxidanyl)benzoate; CHEBI:36062; 3, 4-Dihydroxybenzoic acid; TULIP017459 |
C18H14O8 |
358.299 |
c12c(O[C@]([H])(c3c([H])c([H])c(O[H])c(O[H])c3[H])[C@@]1([H])C(=O)O[H])c(O[H])c([H])c([H])c2\C([H])=C([H])\C(O[H])=O |
|
TCMBANKIN036858 |
Tangeretin |
CHEBI:9400; AI3-23869; BDBM50209218; SR-05000002625; NSC-53909; AC1L28ZE; NSC-618905; SMR001557394; LS-39784; UNII-I4TLA1DLX6; AB0010469; BRD-K25186396-001-02-1; 4H-1-Benzopyran-4-one, 5,6,7,8-tetra-methoxy-2-(4-methoxyphenyl)-; 481T538; SC-46059; AIDS035256; tangeretin(6ci); NCI60_004330; GA2100; BG01660437; SCHEMBL19740; Tangeretin, analytical standard; Tangeretin (6CI); Flavone, 4',5,6,7,8-pentamethoxy- (7CI,8CI); 2-(4-Methoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; ACon1_001263; 4H-1-Benzopyran-4-one, 2-(4-methoxyphenyl)-5,6,7,8-tetramethoxy-; Spectrum2_001698; CC-34639; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one; Tangeretin, >=95% (HPLC); 4',5,6,7,8-pentamethoxy-flavone; C20H20O7; I06-0225; MFCD00017438; KBio3_001900; AC-1699; CHEMBL73930; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one; AKOS015895209; Spectrum4_001019; 4H-1-Benzopyran-4-one,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-; AIDS-035256; Flavone, 5,6,7,8,4'-pentamethoxy; AN-14690; NSC618905; Flavone, 4',5,6,7,8-pentamethoxy-; CT0015; HY-N0133; CU-01000013437-2; Tangeretin; ST097546; N2077; SR-05000002625-1; CCG-38782; NCGC00095850-01; MLS002667634; 4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-; KBioGR_001517; FT-0632194; MEGxp0_001011; ZINC1531699; Spectrum3_000920; Pentamethoxyflavone; 4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(p-methoxyphenyl)-; EINECS 207-570-1; C10190; 4H-1-Benzopyran-4-one,6,7,8-tetramethoxy-2-(p-methoxyphenyl)-; Q-100525; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromone; 481-53-8; 4'',5,6,7,8-pentamethoxyflavone; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4-chromenone; SDCCGMLS-0066766.P001; SPECTRUM1505269; Tangeritin; 5,6,7,8,4''-Pentamethoxyflavone; CJ-24106; 5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4-benzopyrone; AC1Q6AJM; NSC 53909; C-21181; BC216326; 5,6,7,8,4'-Pentamethoxyflavone; s2363; AS-11637; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one; HMS3651A22; CS-5484; I4TLA1DLX6; DTXSID30197417; 5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 9CI; NCGC00095850-02; NSC53909; Ponkanetin; MCULE-1727108016; NCGC00169520-01; ULSUXBXHSYSGDT-UHFFFAOYSA-N; LMPK12111443; Tangeretin (Tangeritin); BRN 0351695; 5-18-05-00491 (Beilstein Handbook Reference); 4',5,6,7,8-Pentamethoxyflavone; K-9174; ST51052717; MolPort-001-741-167; Flavone,5,6,7,8-pentamethoxy-; SPBio_001656 |
|
372.37 |
|
|
TCMBANKIN038346 |
Sagittatoside B |
|
C32H38O13 |
631 |
c1(O[H])c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(OC(c2c([H])c([H])c(C([H])([H])[H])c([H])c2[H])=C(O[C@@]3([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[C@@]4
([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])C5=O)c5c(O[H])c1[H] |
|
TCMBANKIN039554 |
hexanoic acid |
(C6-C12) Alkylcarboxylic acid; n-Hexoic acid; BRN 0773837; Hexanoyl DL-carnitine; AC1O52RE; hexanoicacid; 142-62-1; Hexanoic acid (natural); n-Hexanoic acid; CCRIS 1347; Hexacid 698; 153745_ALDRICH; Hexanoic acid; 13476-79-4; 8040-17-3; 51109-46-7; AI3-07701; WLN: QV5; VVPRQWTYSNDTEA-UHFFFAOYSA-N; 19455-00-6; (C5-C9) Monobasic acids; Pentylformic acid; Hexanoyl-d,l-carnitine; Capronic acid; Butylacetic acid; Kyselina kapronova [Czech]; 4-02-00-00917 (Beilstein Handbook Reference); C01585; 1-Pentanecarboxylic acid; UN2829; 3-hexanoyloxy-4-(trimethylazaniumyl)butanoate; Fatty acids, C6-12; (C6-C12)Alkylcarboxylic acid; W255912_ALDRICH; NSC8266; CAPROIC ACID; CH3-[CH2]4-COOH; LMFA01010006; HEXANOIC ACID (CAPROIC ACID); n-Caproic acid; EINECS 267-013-3; CHEBI:30776; Hexanoylcarnitine; 68603-84-9; 70248-25-8; 21529_FLUKA; HSDB 6813; 3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate; Carboxylic acids, C5-9; NSC 8266; NCIOpen2_005355; LMFA07070070; 1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-, chloride (1:1); EINECS 205-550-7; SCHEMBL235082; 1-Hexanoic acid; Pentanecarboxylic acid; Acid C-6; Carboxylic acids, C6-18 and C6-18-unsatd. mono- and C8-15-di-; H12137_ALDRICH; W255904_ALDRICH; 16571-42-9; Hexylic acid; AIDS212980; Caproic acid [UN2829] [Corrosive]; FEMA No. 2559; 67762-36-1; n-Hexylic acid; Hexoic acid; Pentiformic acid; EINECS 274-509-3; 6418-78-6; AIDS-212980; 53896-26-7; CTK4C6070; EINECS 271-676-4; Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; CHEBI:70749; InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8; O-hexanoylcarnitine; 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-, inner salt; 3-(hexanoyloxy)-4-(trimethylammonio)butanoate |
C6H12O2 |
116.158 |
C(O[H])(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
|
TCMBANKIN043038 |
Methyl-alpha-D-fructofuranoside |
AC1O3DA5; methyl-alpha-d-fructofuranoside; 53431-77-9; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxy-tetrahydrofuran-3,4-diol; (2R,3S,4R,5R)-2-ethoxy-2-(hydroxymethyl)oxane-3,4,5-triol; methyl-α-d-fructofuranoside; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol; ethyl beta-d-fructopyranoside; (2S,3S,4S,5R)-2-methoxy-2,5-dimethylol-tetrahydrofuran-3,4-diol; ethyl beta-fructopyranoside; beta-D-Fructopyranoside, ethyl; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxytetrahydrofuran-3,4-diol; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxy-oxolane-3,4-diol |
C7H14O6 |
194.18 |
COC1(C(C(C(O1)CO)O)O)CO |
|
TCMBANKIN043953 |
GA97 |
|
C20H28O6 |
364 |
[C@@]1([H])(O[H])C([H])([H])[C@@](C([H])([H])[H])([C@@]2([H])[C@]3(C([H])([H])[C@](O[H])(C(=C([H])[H])C3([H])[H])C([H])([H])C2([H])[H])[C@@]4([H])C(O[H])=O)[C@@]4([H])[C@@](C(O[H])=O)(C([H])([H])[H])C
1([H])[H] |
|
TCMBANKIN044727 |
salicylic acid |
3320-EP2298732A1; D00097; CCRIS 6714; 3320-EP2287148A2; 3320-EP2298735A1; o-Hydroxybenzoate anion; Trans-Ver-Sal; Verrugon; CHEBI:30762; STK258681; 2y7w; salicylate; BBL000698; 3320-EP2305260A1; 3320-EP2311796A1; K 537; Keralyt; AC1L1JPL; Salicylate anion; 3320-EP2301534A1; Orthohydroxybenzoic acid; 3320-EP2292595A1; o-hydroxybenzoic acid; Salicylate ion; 3320-EP2298777A2; ACS No 10; Ionil; 3320-EP2289871A1; Salicylic acid [USAN:JAN]; 3320-EP2298748A2; SMR000059163; AC1Q5BFS; o-Carboxyphenol; NCGC00178624-02; 3320-EP2269991A2; 25496-36-0; 3320-EP2292614A1; 3320-EP2311451A1; Salicylic acid; YGSDEFSMJLZEOE-UHFFFAOYSA-M; 3320-EP2284179A2; Benzoic acid, 2-hydroxy-; 3320-EP2287150A2; MLS000069653; 3320-EP2301912A2; CHEBI:16914; Ionil-Plus; Salicylic acid & Sulfur Soap; 3320-EP2305637A2; 3320-EP2298743A1; 3320-EP2284151A2; 54-21-7 (SODIUM SALT); AB00053542_03; Salicylic acid collodion; Kyselina 2-hydroxybenzoova [Czech]; Salicylic acid (6CI,8CI); AIDS-006789; 3320-EP2295416A2; KBio2_003996; 2-hydroxy-benzoate; Dr. Scholl's Corn Removers; 3320-EP2284152A2; Advanced Pain Relief Corn Removers; 3320-EP2284156A2; NCGC00159447-02; 3320-EP2316835A1; 3320-EP2295413A1; 3320-EP2308863A1; 3320-EP2292593A2; 3320-EP2305671A1; AIDS006789; Duofil Wart Remover; 2-Hydroxybenzoic acid; 3gf2; InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10; 3320-EP2269985A2; C00805; 3twp; 3320-EP2311798A1; 3320-EP2275420A1; hydroxybenzoate; WLN: QVR BQ; Salonil; S7401_SIGMA; NSC 180; Salicylic acid (JP15/USP); 3320-EP2301927A1; 3198-EP2289876A1; 3320-EP2316470A2; NCGC00178624-03; Saligel; 2-HYDROXYPHENYLFORMATE; salicylicacid; CPD-110; 3320-EP2284150A2; Spectrum_000948; EPA Pesticide Chemical Code 076602; 3320-EP2284164A2; 3320-EP2295550A2; SMP2_000145; Acidum salicylicum; CAS_54-21-7; Dr. Scholl's Callus Removers; Stri-Dex; ZB000360; SAL; o-Hydroxybenzoate; 3320-EP2280008A2; Clear away Wart Remover; 3320-EP2295432A1; S8519_SIGMA; CTK5I4917; CJ-00055; Salicylic acid, tech.; Salicylic acid soap; 3320-EP2269978A2; 2-Hydroxybenzoate (Na+); Benzoic acid, 2-hydroxy-, ion(1-); SGCUT00012; Duoplant; Freezone; 3320-EP2284155A2; Occlusal; 3320-EP2284178A2; 3320-EP2301914A1; 3320-EP2311825A1; MFCD00984876; Psoriacid-S-Stift; 3320-EP2301913A1; Rutranex; IDI1_000301; 3320-EP2314578A1; 2-Hydroxybenzenecarboxylic acid; 3320-EP2298765A1; 3320-EP2308832A1; MolPort-003-710-545; 8052-31-1; o-Hydrobenzoate; Retarder W; Salicylic acid-ring-UL-14C; 2y7k; Duofilm; o-Hydrobenzoic Acid; NSC_5900; EINECS 200-712-3; NCGC00159447-04; BDBM85513; 3320-EP2295419A2; 3320-EP2314295A1; STK372903; 63-36-5; 3320-EP2311835A1; DivK1c_000301; 2-Hydroxybenzoic acid ion(1-); 3320-EP2316450A1; 3320-EP2277875A2; Dr. Scholl's Wart Remover Kit; 105910_ALDRICH; HSDB 672; 69-72-7; 3320-EP2311842A2; 2y7p; 3320-EP2284153A2; AI3-02407; 3320-EP2272847A1; 7681-06-3; Phenol-2-carboxylic acid; AKOS005447222; 3198-EP2298777A2; Ionil Plus; KBioSS_001428; 3320-EP2301916A2; T7104; 3320-EP2284170A1; 3320-EP2298764A1; Caswell No. 731; 2-Oxylatobenzoate; 84210_FLUKA; KBio1_000301; 3320-EP2311799A1; BENZOIC ACID,2-HYDROXY SALICYLIC ACID; to_000004; Compound w; 3320-EP2275102A1; 3320-EP2311797A1; 2-Hydroxybenzoate; Kyselina salicylova [Czech]; S5922_SIGMA; 3320-EP2287140A2; 2-Hydroxybenzoic acid anion; 3320-EP2305688A1; 3320-EP2305243A1; UPCMLD-DP126:001; 3320-EP2295412A1; 27301_SIAL; Salicylic acid, ion(1-); 3320-EP2292590A2; 3320-EP2277876A1; W398500_ALDRICH; Oprea1_040343; KBio2_006564; Salicylic acid (TN); Sebucare; 2-Carboxyphenol; Benzoic acid, 2-hydroxy- (9CI); Acido salicilico [Italian]; KBio2_001428; Acido o-idrossibenzoico [Italian]; Advanced Pain Relief Callus Removers; LS-144344; NINDS_000301; 2-hydroxybenzoic acid; 247588_SIAL; 2-CARBOXYBENZENOLATE; 3198-EP2314295A1; NSC180; Domerine; Sebulex; BRN 0774890; CMC_13852 |
C7H6O3 |
138.12 |
C1=CC=C(C(=C1)C(=O)O)[O-] |
|
TCMBANKIN047621 |
casuariin |
BDBM50269546; D0I1UF; CHEMBL509562; SCHEMBL1883046; casuariin ; Casuariin |
C35H26O21 |
783 |
c1(O[H])c(c([H])c2c(c3c(C(=O)O[C@]([H])([C@]([H])(C([H])([H])OC2=O)O[H])[C@]4([H])C([H])([H])C(=O)c5c(c6c(C(=O)O[C@@]47[H])c(c(O[H])c(O[H])c6O[H])[C@]7(O[H])[H])c(O[H])c(O[H])c(O[H])c5[H])c([H])c(O[H]
)c(O[H])c3O[H])c1O[H])O[H] |
|
TCMBANKIN057905 |
ferrum |
iron |
Fe |
55.84 g/mol |
[Fe] |
|
TCMBANKIN057906 |
mercury |
hydrargyrum |
Hg |
200.59 g/mol |
[Hg] |
|
TCMBANKIN057915 |
FUM |
U-1149; 110-17-8; 2-Butenedioic acid (E)-; 4-02-00-02202 (Beilstein Handbook Reference); FC 33; Kyselina fumarova; maleic acid; Fumarsaeure; 2-Butenedioic acid (2E)-; 240745_ALDRICH; 2-Butenedioic acid, (E)-; WLN: QV1U1VQ-T; Lichenic acid; LS-500; NSC2752; AIDS-008707; CCRIS 1039; 03761_FLUKA; Lichenic acid (VAN); Caswell No. 465E; W248800_ALDRICH; 2-butenedioic acid, (2E)-; (2E)-2-butenedioic acid; 6915-18-0; Boletic acid; EPA Pesticide Chemical Code 051201; FEMA No. 2488; HSDB 710; Fumaric acid (NF); NCIOpen2_003792; Tumaric acid; 1,2-Ethenedicarboxylic acid, trans-; CHEBI:18012; trans-Butenedioic acid; trans-1,2-Ethylenedicarboxylic acid; FC 33 (acid); fumaric acid; 2-Butenedioic acid; C00122; MALEATE; Allomalenic acid; 110-16-7; AIDS008707; trans-2-Butenedioic acid; AI3-24236; 623158-97-4; But-2-enedioic acid; D02308; NCI60_002239; 1,2-Ethylenedicarboxylic acid, (E); FEMA Number 2488; F8509_SIGMA; NCGC00091192-01; NSC-2752; trans-but-2-enedioic acid; Butenedioic acid, (E)-; Usaf ek-p-583; E-2-Butenedioic acid; BRN 0605763; EINECS 203-743-0; (2E)-but-2-enedioic acid; 2-Butenedioic acid (2E)- (9CI); (E)-2-butenedioic acid; nchembio.2007.47-comp1; Kyselina fumarova [Czech]; BUTENE-1,4-DIOIC ACID; Allomaleic acid; NCIOpen2_004870; Fumaric acid (8CI); CHEBI:22958; cis-butenedioic acid; 2-(E)-Butenedioic acid; MAE; fumaric acid; maiyenic acid; Maleic anhydride, mono(castor oil) ester; Maleic acid [NA2215] [Corrosive]; H2male; AIDS-025527; 2-Butenedioic acid (2Z)-, monocastor oil alkyl esters; InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1; CCRIS 1115; 2-Butenedioic acid, (Z)-; 2-Butenedioic acid (Z)- (9CI); 44742-89-4; NCGC00090970-01; (Z)-butenedioic acid; 2-Butenedioic acid (Z)-; 2-butenedioic acid, (2Z)-; Kyselina maleinova [Czech]; (Z)-2-BUTENEDIOIC ACID; cis-but-2-enedioic acid; 2-Butenedioic acid (2Z)- (9CI); ST5213949; WLN: QV1U1VQ-C; Maleic acid (8CI); NSC 25940; 1,2-Ethylenedicarboxylic acid, (Z); 2-Butenedioic acid (2Z)-; (2Z)-but-2-enedioic acid; AI3-01002; 4-02-00-02199 (Beilstein Handbook Reference); 63189_FLUKA; CHEBI:18300; Malezid CM; NSC25940; NA2215; 10237-70-4; AIDS025527; cis-2-Butenedioic acid; EINECS 203-742-5; Maleinic acid; C01384; Malenic acid; HSDB 666; Scotchbond Multipurpose Etchant; BRN 0605762; M0375_SIAL; cis-1,2-Ethylenedicarboxylic acid; Maleic acid [NA2215] [Corrosive]; Butenedioic acid, (Z)-; 68307-91-5; but-2-enoic acid; methanoic acid; A802157; fumaricacid; 2-butenoic acid; formic acid |
C4H4O4 |
116.07 |
C(=CC(=O)O)C(=O)O |
|
TCMBANKIN057917 |
OXL |
ethane-1,2-dioic acid; CHEBI:16995; CCRIS 1454; EPA Pesticide Chemical Code 009601; Oxaalzuur; Caswell No. 625; Oxalic acid standard solution; NSC115893 (DILITHIUM); 35295_RIEDEL; AI3-26463; 68487_FLUKA; Oxalic acid (8CI); LMFA01170031; Ethanedioic acid (9CI); 553-91-3 (DILITHIUM); Ethandisaeure; 2847-15-6; Acide oxalique; 38250_RIEDEL; C00209; Ultraplast Activate S 52; ethanedioic acid; NSC 62774; Acide oxalique [French]; NCIOpen2_001042; InChI=1/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6; Oxalsaeure [German]; OXD; NCI-C55209; BRN 0385686; Oxalate standard for IC; 04621_FLUKA; Oxalsaeure; HSDB 1100; Acidum oxalicum; NCIOpen2_008831; 34287_RIEDEL; Kyselina stavelova; Acido ossalico; Aktisal; NCIOpen2_001202; AIDS-071020; Acido ossalico [Italian]; WLN: QVVQ; oxalic acid; 319201_ALDRICH; 216451-38-6; 658537_ALDRICH; 4-02-00-01819 (Beilstein Handbook Reference); 38255_RIEDEL; NCIOpen2_001022; EINECS 205-634-3; Kyselina stavelova [Czech]; Oxagel; AIDS071020; NSC62774; NCIOpen2_000770; 194131_ALDRICH; Aquisal; 241172_ALDRICH; 34285_RIEDEL; 35294_RIEDEL; Oxiric acid; 63504-28-9; 144-62-7; 75688_FLUKA; Oxalic acid solution; 97993-78-7; HOOCCOOH; Oxaalzuur [Dutch]; Ethanedionic acid; H2ox;oxalic acid;oxalicacid |
C2H2O4 |
90.03 g/mol |
C(=O)(C(=O)O)O |
|
TCMBANKIN057919 |
2(R)-(3,4-dimethoxy-phenyl)-propanel,3-diol-l-O-β-D-glucopyranoside |
formic acid;fatty acids;FMT;saturated fatty acids;formicacid; methanol peroxide; Dioxirane-3-ol;251364_SIAL; 64-18-6; 27001_RIEDEL; HCOOH; Kyselina mravenci [Czech]; methoic acid; 06473_FLUKA; Spirit of formic acid; Formira; CBX; RCRA waste no. U123; Formylic acid; Methanoic acid; 09676_FLUKA; Formic acid (natural); C1 acid; CCRIS 6039; 49897_FLUKA; 7056-83-9; Kwas metaniowy [Polish]; Bilorin; Myrmicyl; RCRA waste number U123; Ameisensaeure [German]; F0507_SIAL; Collo-didax; EINECS 200-579-1; UN1779; C00058; Add-F; InChI=1/CH2O2/c2-1-3/h1H,(H,2,3; 33015_RIEDEL; 82069-14-5; H-COOH; Collo-bueglatt; LMFA01010040; 94318_FLUKA; AI3-24237; Wonderbond Hardener M 600L; HSDB 1646; Mierenzuur [Dutch]; formic acid; 06450_FLUKA; Sybest; Formic acid solution; FEMA No. 2487; Formisoton; CHEBI:30751; Ameisensaeure; 399388_SIAL; ST5214364; 8006-93-7; Ameisensaure; Formate standard for IC; CARBOXY GROUP; LS-1540; Methanoic acid monomer; Formic acid [UN1779] [Corrosive]; W248703_ALDRICH; Acide formique [French]; Aminic acid; Acido formico [Italian]; 06460_FLUKA; 15907-03-6; Hydrogen carboxylic acid; EPA Pesticide Chemical Code 214900; 56302_FLUKA |
HCOOH or CH2O2 |
46.025 g/mol;46.03 |
C(=O)O |
|
TCMBANKIN057921 |
2-Propanone, 1, 3-dihydroxy- |
2HA; 1,3-Dihydroxypropan-2-one; CHEBI:16016; glycerone; Oxantin; NSC24343; Chromelin; Soleal; DIHYDROXY ACETONE; DIHYDROXYACETONE; 96-26-4; 1,3-Dihydroxypropanone; AI3-24477; 2-Propanone, 1,3-dihydroxy-; CCRIS 4899; Triulose; dihydroxy-acetone; Viticolor; Oxatone; 1,3-Dihydroxydimethyl ketone; 62147-49-3; 2-Propanone, 1,3-dihydroxy; NSC-24343; InChI=1/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H; ZINC00895101; C00184; 1,3-Dihydroxy-2-propanone; 4-01-00-04119 (Beilstein Handbook Reference); Dihyxal; BRN 1740268; 1,3-dihydroxyacetone; EINECS 202-494-5; |
C3H6O3 |
90.08 g/mol |
C(C(=O)CO)O |
|
TCMBANKIN057923 |
glycin |
Tocris-0219; G5417_SIGMA; WLN: Z1VQ; LS-218; 56-40-6; Glycosthene; G7126_SIGMA; Hgly; Glycine-UL-14C hydrochloride; EINECS 200-272-2; Padil; Polyglycine II; AB-131/40217813; Acido aminoacetico [INN-Spanish]; Glycine [INN]; G7403_SIGMA; CCRIS 5915; GLY (IUPAC abbrev); W328707_ALDRICH; Glycine-2-3H; G3649_SIGMA; InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5; Glycine iron sulphate (1:1); NSC 25936; P8791_SIGMA; Leimzucker; Gyn-Hydralin; D00011; Aminoessigsaeure; 50046_FLUKA; Acidum aminoaceticum [INN-Latin]; Aminoethanoic acid; aminoacetic acid; AI3-04085; 33242-26-1; H2N-CH2-COOH; C00037; G8898_SIGMA; Glyzin; G0398_SIGMA; Amitone; Hampshire glycine; Glycocoll; G5523_SIGMA; Acide aminoacetique [INN-French]; Glycine-carboxy-14C hydrochloride; Glicina [INN-Spanish]; Glycinum [INN-Latin]; Glykokoll; ST5213923; 15527_RIEDEL; 7490-95-1; NChemBio.2007.13-comp1; Glycine, non-medical; BPBio1_001222; Biomol-NT_000195; 57678-19-0; Glycolixir; 63183-41-5; 87867-94-5; HSDB 495; AIDS071643; FEMA No. 3287; CHEBI:15428; 33226_RIEDEL; Sucre de gelatine; 17829-66-2; 410225_SIAL; NCGC00024503-01; 2-Aminoacetic acid; Aminoazijnzuur; NSC25936; Glycine (JP15/USP); polyglycine; 52955-63-2; carbonocyanidic acid; 32817-15-5; 2-aminoethanoic acid; Aciport; L-Glycine; Glicoamin; 25718-94-9; Acetic acid, amino-; G8790_SIGMA; AIDS-071643; NCGC00024503-02; Glycine, homopolymer (VAN); glycine;CHEMBL451140; N'-[N-(2a,3b-Dihydroxy-12-oleanen-28-oyl)-L-alanyl]-glycine; 2-[[(2S)-2-[[(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbonyl]amino]propanoyl]amino]acetic acid;GLY |
C2H5NO2 |
75.07 g/mol |
C(C(=O)O)N |
|
TCMBANKIN057929 |
serine |
(s)-serine;H-Ser; Serinum [Latin]; 56-45-1; SCHEMBL1775; L-Serine, Vetec(TM) reagent grade, >=99%; bmse000867; (2S)-2-amino-3-hydroxypropanoic acid; Serine (L-Serine); EC 200-274-3; 6898-95-9; CS-W020136; L-Serine, homopolymer; CHEBI:17115; H-Ser-OH; S0035; L-Serine, PharmaGrade, Ajinomoto, EP, USP, manufactured under appropriate GMP controls for Pharma or Biopharmaceutical production, suitable for cell culture; 2-Amino-3-hydroxypropanoic acid-, (S)-; b-Hydroxy-L-alanine; Propanoic acid, 2-amino-3-hydroxy-, (S); L-2-Amino-3-hydroxypropanoic Acid; BRN 1721404; EBD2198140; BC676679; Serinum; Serine (VAN); L-Serine;; NSC760115; (S)-(-)-Serine; AJ-24136; L-3-Hydroxy-2-aminopropionic acid; UNII-00PAR1C66F component MTCFGRXMJLQNBG-REOHCLBHSA-N; EINECS 200-274-3; TC-066532; L-Serine, from non-animal source, meets EP, USP testing specifications, suitable for cell culture, 98.5-101.0%; ZINC895034; TL806218; (L)-SERINE; 61748-67-2; L-Serine, Vetec(TM), 98.5%; L-Serine, PharmaGrade, Ajinomoto, EP, USP, JP, Manufactured under appropriate controls for use in pharma or biopharmaceutical production, suitable for cell culture; NCGC00015952-01; Serine (USP); beta-Hydroxyalanine; L-Serine, BioUltra, >=99.5% (NT); Racemic serine; L-Serin; (S)-beta-Amino-3-hydroxypropionate; L-(-)-Serine; NSC 118365; Pharmakon1600-01301010; BR-73019; AK-73019; AmbotzHAA1129; (-)-Serine; (S)-alpha-Amino-beta-hydroxypropionic acid; (2S)-2-amino-3-hydroxy-propanoic acid; CTK1G9788; GTPL726; 452VLY9402; DB00133; 88848-EP2289892A1; MFCD00064224; l-2-Amino-3-hydroxy-propanoic acid; (S)-(+)-2-Amino-3-hydroxypropionic acid; Tocris-0226; (2S)-2-AMINO-2-CARBOXY-1-HYDROXYETHYL; AKOS015854115; 154605-73-9; bmse000048; alpha-Amino-beta-hydroxypropionic acid; bmse000809; MolPort-003-939-270; ser; LS-144975; 88848-EP2305825A1; (S)-a-Amino-b-hydroxypropionic acid; serine; RP09655; DB-029983; RP18847; AC1L1LHF; L-Serine (JP17); L-Serine, Pharmaceutical Secondary Standard; Certified Reference Material; AC-1190; .beta.-Hydroxyalanine; KSC269O8R; KB-53386; BDBM50357212; RTC-066532; NCGC00024507-02; NSC-760115; Lopac-S-4250; D00016; Serina; Propanoic acid, 2-amino-3-hydroxy-, (S)-; NCGC00024507-01; (S)-2-Amino-3-hydroxypropanoic acid; Polyserine; L-Serine, United States Pharmacopeia (USP) Reference Standard; MCULE-5604658333; AM20100375; (S)-Serine; SC-09827; Tocris-0227; L-2-Amino-3-hydroxypropionic acid; bmse000885; AB1002443; UNII-452VLY9402; beta-Hydroxy-L-alanine; 064S224; Serina [Spanish]; L-Serine, Cell Culture Reagent; HSDB 680; Serine, L-; FT-0693445; Serine, European Pharmacopoeia (EP) Reference Standard; L-serine; 3h-l-serine; C00065; (S)-alpha-Amino-beta-hydroxypropionate; L-Serine, certified reference material, TraceCERT(R); Serine [USAN:INN]; 25821-52-7; .alpha.-Amino-.beta.-hydroxypropionic acid-, (S)-; 2-Amino-3-hydroxypropanoic acid, (S)-; F1905-7047; (S)-2-amino-3-hydroxy-Propanoate; (S)-beta-Amino-3-hydroxypropionic acid; L-Serine, ReagentPlus(R), >=99% (HPLC); (S)-2-Amino-3-hydroxypropionic acid; L-Serine, >=99.0% (NT); SR-01000597708; (S)-2-Amino-3-hydroxypropanoate; AN-24441; ST2408299; BP-13282; (S)-2-amino-3-hydroxy-Propanoic acid; CHEMBL11298; 3-hydroxy-L-Alanine; MTCFGRXMJLQNBG-REOHCLBHSA-N; L-Serine, tested according to Ph.Eur.; D0T6GM; PubChem10994; VC30786; Epitope ID:150900; L-3-Hydroxy-2-aminopropionate; L-3-Hydroxy-alanine; M-6047; FT-0627627; Z1270387256; SR-01000597708-1; 3AB40D3A-043A-488F-8361-D1BF309F842C; 4-04-00-03118 (Beilstein Handbook Reference); AB0008559; (S)-a-Amino-b-hydroxypropionate; SER (IUPAC abbrev); L-Alanine, 3-hydroxy-; L-ser; ACT08366; (S)-b-Amino-3-hydroxypropionate; (S)-b-Amino-3-hydroxypropionic acid; 2-Amino-3-hydroxypropionic acid; Poly-L-serine; ANW-32514; rac-serine;(S)-2-Amino-3-hydroxypropionic acid; 2-Amino-3-hydroxypropanoic acid; Serinum [Latin]; S4311_SIGMA; NCGC00024507-02; NSC 118365; Lopac-S-4250; D00016; (2S)-2-amino-3-hydroxypropanoic acid; (-)-Serine; (2S)-2-amino-3-hydroxy-propionic acid; Propanoic acid, 2-amino-3-hydroxy-, (S)-; (S)-alpha-Amino-beta-hydroxypropionic acid; 6898-95-9; (2S)-2-amino-3-hydroxy-propanoic acid; NCGC00024507-01; L-Serine, homopolymer; CHEBI:17115; (S)-2-Amino-3-hydroxypropanoic acid; Polyserine; Propanoic acid, 2-amino-3-hydroxy-, (S); L-3-Hydroxy-alanine; Tocris-0226; (S)-Serine; Tocris-0227; BRN 1721404; L-2-Amino-3-hydroxypropionic acid; beta-Hydroxy-L-alanine; Serina [Spanish]; Serine (VAN); 84959_FLUKA; alpha-Amino-beta-hydroxypropionic acid; HSDB 680; Serine, L-; C00065; 4-04-00-03118 (Beilstein Handbook Reference); L-3-Hydroxy-2-aminopropionic acid; EINECS 200-274-3; L-Serine (JAN); SER (IUPAC abbrev); Serine [USAN:INN]; 25821-52-7; 78682_FLUKA; 2-Amino-3-hydroxypropanoic acid, (S)-; L-Alanine, 3-hydroxy-; S1315_SIGMA; NCGC00015952-01; Serine (USP); Poly-L-serine; beta-Hydroxyalanine; S4500_SIGMA;L-Serin |
C3H7NO3 |
105.09 g/mol |
C(C(C(=O)O)N)O |
|
TCMBANKIN057940 |
D- threitol |
(2R,3R)-1,2,3,4-Butanetetrol; 1,2,3,4-Butanetetrol, (R*,R*)-; (2R,3R)-butane-1,2,3,4-tetrol; 89173_FLUKA; D-Threitol; 7493-90-5; ZINC00895269; 377619_ALDRICH; Threitol |
C4H10O4 |
122.12 g/mol |
C(C(C(CO)O)O)O |
|
TCMBANKIN057963 |
succinic acid |
NCGC00159372-02; AIDS017693; Bernsteinsaure; succ; nchembio856-comp9; SIN; Butanedioic acid diammonium salt; InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8; Bernsteinsaeure; ST5213944; nchembio.2007.47-comp2; 4-02-00-01908 (Beilstein Handbook Reference); 623158-99-6; LMFA01170043; BRN 1754069; butanedioic acid; Succinic acid (8CI); acide butanedioique; Dihydrofumaric acid; Katasuccin; 110-15-6; WLN: QV2VQ; FMR; AI3-06297; EINECS 203-740-4; Kyselina jantarova [Czech]; Amber acid; 398055_SIAL; 1,4-Butanedioic acid; S3674_SIAL; succinicacid; Ethylene dicarboxylic acid; 1,4-BUTANEDIOIC ACID (SUCCINIC ACID); S7501_SIAL; NSC25949; Bernsteinsaure [German]; acide succinique; NSC 106449; HOOC-CH2-CH2-COOH; Butandisaeure; 1,2-Ethanedicarboxylic acid; Acidum succinicum; Asuccin; C00042; Wormwood acid; ethylenesuccinic acid; Wormwood; 14078_FLUKA; Butanedionic acid; NSC106449; W502707_ALDRICH; W502715_ALDRICH; NCGC00159372-03; AIDS-017693; spirit of amber; A 12084; CHEBI:15741; Butanedioic acid (9CI); S9512_SIGMA; 14079_FLUKA; HSDB 791; Amber acid; amber acid |
C4H6O4 |
118.09 g/mol |
C(CC(=O)O)C(=O)O |
|
TCMBANKIN057965 |
arginine |
L(+ )-arginine;EINECS 230-571-3; (2S)-2-amino-5-guanidino-pentanoic acid; EINECS 200-811-1; (S)-2-Amino-5-guanidinovaleric acid; DL-Arginine; (L)-Arginine; Arginine hydrochloride(USAN); 1-Amino-4-guanidovaleric acid; L-Ornithine, N5-(aminoiminomethyl)-; W381918_ALDRICH; (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; Arginine [USAN:INN]; S-(+)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid; L-Arginine, labeled with tritium; AI3-24165; AIDS-121865; (S)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid; NSC203450 (HYDROCHLORIDE); A5006_SIAL; (+-)-Arginine; L-Norvaline, 5-((aminoiminomethyl)amino)-; AIDS121865; Lopac0_000077; Tocris-0663; Arginine (VAN); 4455-52-1; CCRIS 3609; BRN 1725413; NCGC00015064-01; (2S)-2-amino-5-(carbamimidamido)pentanoic acid; (2S)-2-amino-5-guanidinopentanoic acid; D02982; Argininum [INN-Latin]; C00062; 7200-25-1; A8094_SIGMA; 11009_FLUKA; Poly(L-arginine); (2S)-2-amino-5-guanidino-valeric acid; Lopac-A-5006; NSC 206269; HSDB 1429; CHEBI:16467; L-Arginine, homopolymer; L-Arginine (9CI); Arginina [INN-Spanish]; 4-04-00-02648 (Beilstein Handbook Reference); (S)-2-amino-5-guanidinopentanoic acid; (S)-2-Amino-5-((aminoiminomethyl)amino)pentanoic acid; Arginine, L- (8CI); L-Arginine (JP15); EU-0100077; L-alpha-Amino-delta-guanidinovaleric acid; NSC7914 (HYDROCHLORIDE); Arginine (USP); 1119-34-2 (HYDROCHLORIDE); Pentanoic acid, 2-amino-5-((aminoiminomethyl)amino)-, (S)-; L-Arg; L-Norvaline, 5-[(aminoiminomethyl)amino]-; 142-49-4; A4474_SIAL; InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s; L-Arginin; Arginine, DL-; NCGC00024715-01;AC1ODX8E; [(4S)-5-amino-4-azaniumyl-5-oxopentyl]-(diaminomethylidene)azanium; [AMINO({[(4S)-4-AMMONIO-4-CARBAMOYLBUTYL]AMINO})METHYLIDENE]AZANIUM |
C6H14N4O2 |
174.2 g/mol |
C(CC(C(=O)O)N)CN=C(N)N |
|
TCMBANKIN057975 |
lysine acid |
|
C6H14N2O2 |
146.19 g/mol |
C(CCN)CC(C(=O)O)N |
|
TCMBANKIN057978 |
1,5-pentadiol |
4-01-00-02540 (Beilstein Handbook Reference); NSC 5927; P7703_SIAL; 1,5-Pentylene glycol; .alpha.,.omega.-Pentanediol; 111-29-5; 1,5-Pentamethylene glycol; 1,5-Pentanediol; .omega.-Pentanediol; EINECS 203-854-4; 1,5-Dihydroxypentane; Pentamethylene glycol; alpha,omega-Pentanediol; InChI=1/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H; NSC5927; BRN 1560130; AI3-03318; ZINC01687319; 76892_FLUKA; Pentylene glycol; Pentane-1,5-diol |
C5H12O2 |
104.15 |
C(CCO)CCO |
|
TCMBANKIN057984 |
PG |
ST5214535; 504-63-2; .beta.-Propylene glycol; PDO; C02457; InChI=1/C3H8O2/c4-2-1-3-5/h4-5H,1-3H; 2-Deoxyglycerol; .omega.-Propanediol; 1,3-Dihydroxypropane; BRN 0969155; Propane-1,3-diol; Trimethylene glycol; beta-Propylene glycol; CHEBI:16109; 2-(Hydroxymethyl)ethanol; 1,3-Propylenediol; 533734_ALDRICH; 81780_FLUKA; 1,3-PROPANDIOL; 4-01-00-02493 (Beilstein Handbook Reference); AI3-01851; NSC 65426; P50404_ALDRICH; 1,3-Propylene glycol; omega-Propanediol; EINECS 207-997-3; 1,3-Propanediol; ZINC01529437; NSC65426; 757125-93-2;1,3-propanediol |
C3H8O2 |
76.09 |
C(CO)CO |
|
TCMBANKIN057985 |
glycinol |
2-Hydroxyethylamine; EINECS 205-483-3; AI3-24219; Aminopolyethylene glycol 5'000; O-(2-Aminoethyl)polyethylene glycol 3'000; Kolamin [Czech]; UN 2491; 411000_ALDRICH; 2-aminoethyl alcohol; Aminopolyethylene glycol 3'000; NChemBio.2007.13-comp20; beta-aminoethanol; Ethanol, 2-amino-; Glycinol; Monoethanolamine (NF); Ethanolamine or ethanolamine solutions [UN2491] [Corrosive]; Olamine; c0594; Ethanolamine solution; Ethanol, 2-amino; 1-Amino-2-hydroxyethane; 2-Aminoaethanol [German]; beta-ethanolamine; ETHANOL-AMINE; beta-Hydroxyethylamine; 2-aminoethanol; C00189; Glycinol (monoethanolamine); Ethylolamine; Thiofaco M-50; NCGC00090789-01; Aethanolamin [German]; Envision Conditioner PDD 9020; beta-Aminoethyl alcohol beta-Ethanolamine; 2-Amino-1-ethanol; colamine; O-(2-Aminoethyl)polyethylene glycol 10000; 02400_FLUKA; nchembio748-comp8; UN2491; 672130_ALDRICH; 00278_FLUKA; Aminopolyethylene glycol 10000; Monoaethanolamin [German]; O-(2-Aminoethyl)polyethylene glycol 5000; 2-Hydroxyethanamine; Hydroxyethylamine; Aminoethanol; ethanolamine; USAF EK-1597; 2-aminoethan-1-ol; 671924_ALDRICH; 15014_RIEDEL; Etanolamina [Italian]; HSDB 531; D05074; 398136_SIAL; 2-Amino ethanol; CHEBI:16000; Caswell No. 426; E0135_SIAL; CCRIS 6260; EPA Pesticide Chemical Code 011601; 2-Ethanolamine; Ethanolamine or ethanolamine solutions [UN2491] [Corrosive]; 2-Aminoetanolo [Italian]; Ethanol, 2-amino- (8CI,9CI); 9007-33-4; 07969_FLUKA; InChI=1/C2H7NO/c3-1-2-4/h4H,1-3H; 141-43-5; monoethanolamine; MEA (alcohol); beta-Aminoethyl alcohol;ETA |
C15H12O5 |
272.25 |
C(CO)N |
|
TCMBANKIN057986 |
EG |
NSC35747; 81310_FLUKA; Glycol, polyethylene (600); c0542; Sentry polyox WSR (TN); 73034_FLUKA; 1,2-ETHANEDIOL (GLYCOL); 02393_FLUKA; 95172_FLUKA; Carbowax 300; 03747_FLUKA; 81180_FLUKA; Methoxypolyethylene glycol; NSC 93876; 202487_ALDRICH; 03468_FLUKA; P4338_SIAL; 81202_FLUKA; Polyethylene glycol, diglycidyl bisphenol A polymer; Polyethylene glycol compound; 81288_FLUKA; 293237_ALDRICH; P0694_SIAL; 372811_ALDRICH; CCRIS 3744; 637726_ALDRICH; Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-; 44101_FLUKA; 81292_FLUKA; 146AR; 181986_ALDRICH; D06424; M.e.g.; Methoxy poly(ethylene glycol); CHEBI:30742; 81294_FLUKA; 81190_FLUKA; 03469_FLUKA; Macrogol 400 (TN); NSC32853; 37225-26-6; AIDS017549; 81272_FLUKA; 81208_FLUKA; NCGC00091510-01; Ethylene glycol; 372838_ALDRICH; Macrogol 6000 (JP15); Ethane-1,2-diol; 81162_FLUKA; Ethylene dihydrate; NSC152325; P7181_SIGMA; Solbanon (TN); 81210_FLUKA; 03465_FLUKA; 182028_ALDRICH; 81298_FLUKA; 03466_FLUKA; 87006_FLUKA; NSC32856; Union Carbide XL 54 Type I De-icing Fluid; Carbowax 1540; 81260_FLUKA; Lutrol E (TN); Polyethylene oxide; 95904_FLUKA; 81304_FLUKA; Caswell No. 441; 03463_FLUKA; 17738_FLUKA; 81170_FLUKA; Macrogol 1500 (JP15); P4463_SIAL; 81268_FLUKA; 85978_FLUKA; NSC57859; 03997_FLUKA; 71578_FLUKA; PEG 3600; Macrogol (JP15); P5413_SIAL; 81296_FLUKA; Glycol, polypropylene (P750); NCI-C00920; D06422; M6768_SIGMA; P3515_SIGMA; 202436_ALDRICH; 90878_FLUKA; Polyethylene glycol 200; D06423; 88440_FLUKA; NSC35749; 182001_ALDRICH; Ucar 17; DuPont Zonyl FSO Fluorinated Surfactants; 71767-64-1; Polyethylene oxide (NF); NCIOpen2_002100; Fridex; 87333_FLUKA; P3640_SIGMA; 81172_FLUKA; 88276_FLUKA; 372803_ALDRICH; Lutrol E; Glycol, polypropylene (P400); NSC35748; 03395_FLUKA; P1458_SIAL; Tescol; P7777_SIGMA; 03473_FLUKA; Poly(ethylene glycol) methyl ether; 84184_FLUKA; P2263_SIGMA; DuPont Zonyl FSE Fluorinated Surfactants; 373001_ALDRICH; Macrogol 6000 (TN); 81150_FLUKA; Lutrol-9; NSC32855; NSC35746; POLYETHYLENE GLYCOL; InChI=1/C2H6O2/c3-1-2-4/h3-4H,1-2H; A-GLYCOL; 81201_FLUKA; Macrogol 1500 (TN); 324558_ALDRICH; 81284_FLUKA; Methoxypolyethylene glycol 350; 81289_FLUKA; NSC35745; 107-21-1; 81160_FLUKA; Carbowax 4000; 83272_FLUKA; ethanediol; 94646_FLUKA; D03370; 81323_FLUKA; 03461_FLUKA; 202371_ALDRICH; Undecaethylene glycol; 81293_FLUKA; Polyethylene glycol/Polyethylene oxide standard ReadyCal set Mp 500-2'740'000; 202495_ALDRICH; D06418; 1,2-Dihydroxyethane; HO-CH2-CH2-OH; 83271_FLUKA; 2219-51-4; AI3-03050; Macrogol 1500; C15588; Zerex; D06419; 81280_FLUKA; C01380; 89782_FLUKA; P7306_SIGMA; NSC93876; 202401_ALDRICH; 81269_FLUKA; Lutrol 9; 372773_ALDRICH; P6644_SIAL; 03394_FLUKA; EGL; 81206_FLUKA; Polyethylene glycol 3'000 monodispers solution; 03467_FLUKA; 33068_RIEDEL; 81275_FLUKA; Dowtherm SR 1; 76293_FLUKA; 55235_FLUKA; P6667_SIAL; 202509_ALDRICH; 189464_ALDRICH; NSC155081; D06420; 81205_FLUKA; HSDB 5012; 81221_FLUKA; 81212_FLUKA; Polyethylene oxide Standard 10'000; EPA Pesticide Chemical Code 042203; Glycol, ethylene-; 81213_FLUKA; 81187_FLUKA; Macrogol; 92897_FLUKA; Macrogol 6000; Carbowax 6000; 81227_FLUKA; 81209_FLUKA; 372994_ALDRICH; 81290_FLUKA; 81253_FLUKA; 81200_FLUKA; Dowtherm 4000; Poly(ethylene oxide); P3265_SIGMA; P3015_SIAL; 81242_FLUKA; 309028_ALDRICH; mono-Methyl polyethylene glycol; 372781_ALDRICH; P5402_SIAL; 81300_FLUKA; D06421; Glycol, polyethylene (400); 81230_FLUKA; Carbowax 400; 1,2-ethanediol; EDO; 03770_FLUKA; EINECS 203-473-3; 189472_ALDRICH; ZINC05224354; PEG 400; Sentry polyox WSR; Polyethylene glycol solution; Solbanon; PEG solution; Polyethylene glycol (NF); 81291_FLUKA; monoethylene glycol; Macrogol 400 (JP15); Macrogol 4000 (TN); 181994_ALDRICH; 202452_ALDRICH; Athylenglykol; PEG 600; 03464_FLUKA; NCIOpen2_002019; mono-Methyl polyethylene glycol 350; ST5214442; 91893_FLUKA; Macrogol 20000; NSC152324; 81282_FLUKA; 189456_ALDRICH; WLN: Q2Q; 295906_ALDRICH; 102466_ALDRICH; 81240_FLUKA; 1,2-Ethandiol; 37221-95-7; Macrogol 400; MPEG; 81396_FLUKA; 202444_ALDRICH; Oxirane, 2,2'-((1-methylethylidene)bis(4,1-phenyleneoxymethylene))bis-, polymer with alpha-hydro-omega-hydroxypoly(oxy-1,2-ethanediyl); 89510_FLUKA; 81214_FLUKA; Poly(ethylene glycol); Macrogol 4000 (JP15); 202398_ALDRICH; NSC32854; P2906_SIGMA; Polyethyleneglycol Bisphenol A Epichlorohydrin Copolymer; Carbowax 1000; 81286_FLUKA; 2-hydroxyethanol; 03462_FLUKA; 81287_FLUKA; 81188_FLUKA; Norkool; 84797_FLUKA; GLYCOL; 81283_FLUKA; P2139_SIAL; 96699_FLUKA; Macrogol 400 BPC; Ethylene alcohol; 81255_FLUKA; Glycol, polyethylene; 86101_FLUKA; Aethylenglykol [German]; Polyethylene glycol standard set Mp 400-40'000; 03557_FLUKA; Glycol, polypropylene (P1200); 81285_FLUKA; NCIOpen2_001979; Macrogol 20000 (JP15); Polyethylene glycol monomethyl ether; Glycol alcohol; 81189_FLUKA; ethylene-glycol; AIDS-017549; 25322-68-3; glycol |
(C2H4O)nH2O (n = number of ethylene oxide units corresponding to a molecular weight of 6 000, about 140); C2H6O2 |
62.07 g/mol |
C(CO)O |
|
TCMBANKIN057992 |
betaine |
Betaine; Aristolochic acid; EINECS 258-258-7; Betaine aspartate; carboxy-n,n,n-trimethylmethanaminium(3s)-3-amino-3-carboxypropanoate; TRIMETHYL GLYCINE (+)-ASPARTATE; AC1L2WMU; D07524; betaine hydrochloride; Somathl (TN); glycine betaine; (2S)-2-amino-4-hydroxy-4-oxobutanoate; carboxymethyl(trimethyl)azanium; aristolochic acid A; AC1Q5T26 |
C5H11NO2 |
117.15 g/mol |
C[N+](C)(C)CC(=O)[O-] |
|
TCMBANKIN058019 |
Tulipane |
226416_ALDRICH; 3-methylene-2-tetrahydrofuranone; tulipalin; 3-methylideneoxolan-2-one; 547-65-9; LMSV-6; Dihydro-3-methylene-2(3H)-furanone; 2(3H)-Furanone, dihydro-3-methylene-; Securolide; .alpha.-Methylene-.gamma.-butyrolactone; alpha-Methylene-gamma-butyrolactone; 66735_FLUKA; AI3-63021; Tulipalin; NSC 205367; alpha-Methylene butyrolactone; AIDS340092; EINECS 208-931-6; .alpha.-Methylene butyrolactone; 3-methylenetetrahydrofuran-2-one; ZINC01740871; 3-methylenedihydrofuran-2(3H)-one; NSC205367; 3-Methylenedihydro-2(3H)-furanone; InChI=1/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H; AIDS-340092; Tulipalin A |
C5H6O2 |
98.1 |
C=C1CCOC1=O |
|
TCMBANKIN058024 |
Papite |
48501_SUPELCO; Aqualin; Prop-2-en-1-al; EINECS 203-453-4; polyacrolein; InChI=1/C3H4O/c1-2-3-4/h2-3H,1H; Aqualine; Magnacide H and B; Acraldehyde; 2-Propenal,homopolymer; Akroleina; Acroleina [Italian]; Aldehyde acrylique; WLN: VH1U1; Acrylic aldehyde,inhibited; Akrolein [Czech]; Caswell No. 009; Acrylaldehyd; Slimicide; 01680_FLUKA; 25314-61-8; NCGC00091484-01; Acraldehydeacroleina; 4S8501_SUPELCO; Acroleine; Propenal,inhibited; Aldeide acrilica [Italian]; Ethylene aldehyde; Allyl aldehyde; RCRA waste number P003; Biocide; Propenaldehyde; trans-Acrolein; Acrylaldehyd [German]; Aldeide acrilica; RCRA waste no. P003; Crolean; Propenal [Czech]; Acrolein; Acraldehydeacroleina [Italian]; Magnacide; UN1092; 5S06230_SUPELCO; 107-02-8; 25068-14-8; 01679_FLUKA; AI3-24160; Akroleina [Polish]; Acroleine [Dutch,French]; Akrolein; Aldehyde acrylique [French]; Propylene aldehyde; 2-Propenal; NSC 8819; Magnacide H; EPA Pesticide Chemical Code 000701; Acrylic aldehyde; HSDB 177; Acrylaldehyde; C01471; UN 1092; CHEBI:15368; Acrolein,inhibited [UN1092] [Poison]; Propenal; Acrolein,inhibited; 2-Propen-1-one; NSC8819; CCRIS 3278; prop-2-enal; 110221_ALDRICH; 2- propenal |
C3H4O |
56.06 |
C=CC=O |
|
TCMBANKIN058041 |
chavicol |
Phenol,4-(2-propen-1-yl)-; Phenol, p-allyl- (8CI); I14-56356; .gamma.-(p-Hydroxyphenyl)-.alpha.-propylene; alpha -propylene; AC1Q7A4U; 3-(p-Hydroxyphenyl)-1-propene; LS-167638; 4-Allylphenol; p-Chavicol; EINECS 207-929-2; NSC-290195; laquo gammaRaquo -(p-hydroxyphenyl)-alpha -propylene; MFCD01940501; SCHEMBL30870; W-4067; AKOS006278514; p-Allylphenol; KS-000009EP; NSC290195; AB0197728; 501A928; CCRIS 3208; MCULE-8960123940; 4-(2-propenyl)-phenol; RGIBXDHONMXTLI-UHFFFAOYSA-; 4-(Prop-2-enyl)-phenol; CHEBI:50158; CHEMBL108862; InChI=1/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2; CHAVICOL; Phenol, 4-(2-propenyl)-; p-Allyl-Phenol; AN-21426; p-Hydroxyallylpropene; NSC 290195; ZINC1565456; RGIBXDHONMXTLI-UHFFFAOYSA-N; Phenol, 4-(2-propenyl)- (9CI); UNII-T5721BH5Z4 component RGIBXDHONMXTLI-UHFFFAOYSA-N; KB-239888; AC1L294Y; Phenol, p-allyl-; 4-prop-2-enylphenol; 501-92-8; SC-22043; 4-(prop-2-en-1-yl)phenol; 3-(4-Hydroxyphenyl)-1-propene; UNII-Q5ER4K6969; 4-(2-Propenyl)phenol; p-Hydroxyallylbenzene; CJ-24615; BBL018739; C16930; 4-Allyl-Phenol; Q5ER4K6969; CTK4J2234; DTXSID60198210; MolPort-006-111-494; gamma-(p-Hydroxyphenyl)-alpha-propylene; Chavicol;4-allylphenol;4-(2-propenyl)- phenol |
C9H10O |
134.18 |
C=CCC1=CC=C(C=C1)O |
|
TCMBANKIN058046 |
allyl isothiocyanate |
Redskin; DTXSID3020047; Fats and Glyceridic oils, mustard; 3ZT10W4376; (T)ALLYL ISOTHIOCYANATE; Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized; Artificial oil of mustard; NSC 5572; Allyspol 75EC; Tox21_111165; ol eum sinapis volatile; Allylsenfoel; BBL027483; Allyl sevenolum; Senf oel; Tox21_202249; Mustard, brown (Brassica spp.); EINECS 232-358-0; EPA Pesticide Chemical Code 004901; DSSTox_CID_47; Allyl isothiocyanate, contains BHT as stabilizer, 95%; Oleum sinapis; 1058737-73-7; WLN: SCN2U1; Mustard oil, volatile; Mustard oil (VAN); AC1L1LIX; Isothiocyanic acid allyl ester; Essential oils, mustard; BN34FX42G3; Oil Of mustard; Allyl isothiocyanate, stabilized; Allyl isosulphocyanate; Mustardseed Oil; Tox21_302890; BP-12926; MFCD00004822; HMS3264D06; D02818; NSC760137; CHEMBL233248; FEMA No. 2034; 8007-40-7; Allyl isothiocyanate [USAN]; CTK1G9557; ZINC1687017; 50978-48-8; allylisothiocyanate; Brassica seed oil; 1957/6/7; Oil of mustard, expressed; ST51046777; CCG-213613; SBB060631; Allylisothiokyanat [Czech]; CCRIS 20; NCGC00091743-01; NCGC00256536-01; Allylsevenolum; Oils, brassica nigra; Allyl thioisocyanate; DSSTox_RID_75336; 3-isothiocyanatopropene; BDBM50203072; RL04154; NCGC00091743-02; 2-Propenyl isothiocyanate; UNII-BN34FX42G3; Caswell No. 027; Allyl mustard oil; CHEBI:73224; Allyl isothiocyanate, 97%; Allyl isothiocyanate (USP); Allyl isothiocyanate [USAN:USP]; I0185; prop-2-enisothiocyanate; Oil of mustard, artificial; Allyl isothiocyanate, stabilized [UN1545] [Poison]; 107231-30-1; Allyl isothiocyanate, >=95%, FCC; ALLYL ISOTHIOCYANATE; 58391-87-0; Allylsenevol; BRN 0773748; Isothiocyanate d'allyle; TR-019960; NSC-760137; 3-isothiocyanatopropene, 2-propenyl isothiocyanate, mustard oil, allyl isorhodanide, allyl mustard oil, synthetic mustard oil, allylsenevol, redskin, volatile oil of mustard; Volatile mustard oil; Isothiocyanate d'allyle [French]; 5832AE; Oils, brassica alba; J-512735; allyl isothiocyanate; ATC; AITC; Allylisothiokyanat; DB-022435; Senf oel [German]; FEMA Number 2034; Mustard, yellow (Brassica spp.); Allyl isothiocyanate, non-perfume grade; GTPL2420; LS-1387; 3-isothiocyanatoprop-1-ene; FT-0622027; allyl isorhodanide; AC1Q2ABE; UN1545; Mustard essential oils; AITK; Allyl isothiocyanate non-perfume grade; Potassium, (1-isothiocyanato-2-propenyl)-; NCI-C50464; NSC5572; C19317; Allyl isothiocyanate, stabilized [UN1545] [Poison]; Oils, essential, mustard; Senfoel; Y-9048; Allyl isosulfocyanate; F9995-1653; FT-0622004; 3-iso-Thiocyanatoprop-1-ene; Oleum sinapis volatile; Allyl isothiocyanate (natural); LS-3207; 3-isothiocyanato-prop-1-ene; Potassium allyl isothiocyanate; UNII-3ZT10W4376; 3-Isothiocyanato-1-propene; Oils, glyceridic, mustard; EINECS 200-309-2; AITC; allyl thiocarbonimide; InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H; Carbospol; BB_SC-6433; Propene, 3-isothiocyanato-; allyl-iso-thiocyanate; Mustard oil, volatile, synthetic; Mustard Oil (Synthetic); D0BQ8Y; ZOJBYZNEUISWFT-UHFFFAOYSA-N; Artificial mustard oil; Isothiocyanic acid, allyl ester; MUSTARD OIL; I09-0185; 1-Propene, 3-isothiocyanato-; Oil of mustard BPC 1949; Allyl isothiocyanate, purum, >=98% (GC); MolPort-001-769-093; CAS-57-06-7; AC1Q2A9Q; AN-23573; Mustard seed oil; Isothiocyansaeureallylester; FEMA No. 2761; AI3-15283; ISOTHIOCYANIC ACID,ALLYL ESTER; NSC-5572; KB-47208; NCGC00259798-01; FEMA No. 2760; MCULE-3404572895; AB01563144_01; Allylsenfoel [German]; 50888-64-7; ALLYLISOTHIOCYANATE; Allyspol; Oils, mustard; Allyl isothiocyanate, inhibited; Pharmakon1600-01506103; Isothiocyanato-1-propene; Synthetic mustard oil; HSDB 617; Propenyl isothiocyanate; AKOS000119301; DSSTox_GSID_20047; Volatile oil of mustard; mustard oil; Redskin; DTXSID3020047; Fats and Glyceridic oils, mustard; 3ZT10W4376; (T)ALLYL ISOTHIOCYANATE; Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized; Artificial oil of mustard; NSC 5572; Allyspol 75EC; Tox21_111165; ol eum sinapis volatile; Allylsenfoel; BBL027483; Oil of mustard; Allyl sevenolum; Senf oel; Tox21_202249; Mustard, brown (Brassica spp.); EINECS 232-358-0; EPA Pesticide Chemical Code 004901; DSSTox_CID_47; Allyl isothiocyanate, contains BHT as stabilizer, 95%; Oleum sinapis; 1058737-73-7; WLN: SCN2U1; Mustard oil, volatile; Mustard oil (VAN); AC1L1LIX; Isothiocyanic acid allyl ester; Essential oils, mustard; BN34FX42G3; Oil Of mustard; Allyl isothiocyanate, stabilized; Allyl isosulphocyanate; Mustardseed Oil; Tox21_302890; BP-12926; MFCD00004822; HMS3264D06; D02818; NSC760137; CHEMBL233248; FEMA No. 2034; 8007-40-7; Allyl isothiocyanate [USAN]; CTK1G9557; ZINC1687017; 50978-48-8; Brassica seed oil; 1957/6/7; Oil of mustard, expressed; ST51046777; CCG-213613; SBB060631; Allylisothiokyanat [Czech]; CCRIS 20; NCGC00091743-01; NCGC00256536-01; Allylsevenolum; Oils, brassica nigra; Allyl thioisocyanate; DSSTox_RID_75336; 3-isothiocyanatopropene; BDBM50203072; RL04154; NCGC00091743-02; 2-Propenyl isothiocyanate; UNII-BN34FX42G3; Caswell No. 027; Allyl mustard oil; CHEBI:73224; Allyl isothiocyanate, 97%; ZINC01687017; Allyl isothiocyanate (USP); Allyl isothiocyanate [USAN:USP]; I0185; prop-2-enisothiocyanate; Oil of mustard, artificial; Allyl isothiocyanate, stabilized [UN1545] [Poison]; 107231-30-1; Allyl isothiocyanate, >=95%, FCC; ALLYL ISOTHIOCYANATE; 58391-87-0; Allylsenevol; BRN 0773748; Isothiocyanate d'allyle; TR-019960; NSC-760137; 3-isothiocyanatopropene, 2-propenyl isothiocyanate, mustard oil, allyl isorhodanide, allyl mustard oil, synthetic mustard oil, allylsenevol, redskin, volatile oil of mustard; Volatile mustard oil; Isothiocyanate d'allyle [French]; 5832AE; Oils, brassica alba; J-512735; Allylisothiokyanat; DB-022435; Senf oel [German]; FEMA Number 2034; Mustard, yellow (Brassica spp.); Allyl isothiocyanate, non-perfume grade; GTPL2420; LS-1387; 3-isothiocyanatoprop-1-ene; FT-0622027; Mustard oil; allyl isorhodanide; AC1Q2ABE; UN1545; Mustard essential oils; AITK; Allyl isothiocyanate non-perfume grade; Potassium, (1-isothiocyanato-2-propenyl)-; NCI-C50464; NSC5572; C19317; Allyl isothiocyanate, stabilized [UN1545] [Poison]; Oils, essential, mustard; Senfoel; Y-9048; Allyl isosulfocyanate; F9995-1653; FT-0622004; 3-iso-Thiocyanatoprop-1-ene; Oleum sinapis volatile; 377430_ALDRICH; Allyl isothiocyanate (natural); LS-3207; 3-isothiocyanato-prop-1-ene; Potassium allyl isothiocyanate; UNII-3ZT10W4376; 3-Isothiocyanato-1-propene; Oils, glyceridic, mustard; EINECS 200-309-2; AITC; allyl thiocarbonimide; InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H; Carbospol; BB_SC-6433; Propene, 3-isothiocyanato-; 4-04-00-01081 (Beilstein Handbook Reference); allyl-iso-thiocyanate; Mustard oil, volatile, synthetic; Mustard Oil (Synthetic); D0BQ8Y; ZOJBYZNEUISWFT-UHFFFAOYSA-N; Artificial mustard oil; Isothiocyanic acid, allyl ester; MUSTARD OIL; I09-0185; 1-Propene, 3-isothiocyanato-; Oil of mustard BPC 1949; Allyl isothiocyanate, purum, >=98% (GC); W203408_ALDRICH; MolPort-001-769-093; CAS-57-06-7; AC1Q2A9Q; AN-23573; Mustard seed oil; Isothiocyansaeureallylester; FEMA No. 2761; AI3-15283; ISOTHIOCYANIC ACID,ALLYL ESTER; NSC-5572; KB-47208; NCGC00259798-01; FEMA No. 2760; MCULE-3404572895; 06019_FLUKA; AB01563144_01; Allylsenfoel [German]; 50888-64-7; ALLYLISOTHIOCYANATE; Allyspol; Oils, mustard; Allyl isothiocyanate, inhibited; Pharmakon1600-01506103; 57-06-7; Isothiocyanato-1-propene; Synthetic mustard oil; HSDB 617; 36682_RIEDEL; Propenyl isothiocyanate; AKOS000119301; DSSTox_GSID_20047; allylimino-thioxo-methane; Volatile oil of mustard |
C4H5NS |
99.16 g/mol |
C=CCN=C=S |
|
TCMBANKIN058050 |
Oil garlic; allyl monosulfide; diallyl sulfide |
Diallyl sulphide; BSPBio_003591; Spectrum2_000837; NSC 20947; Thioallyl ether; 3-(allylthio)prop-1-ene; SPBio_000793; 3,3'-thiobis(prop-1-ene); 32660_FLUKA; WLN: 1U2S2U1; Dially monosulfide; SPECTRUM1505293; Diallyl thioather; Allyl sulfide; KBio3_003027; Diallyl monosulfide; NSC20947; A35801_ALDRICH; Allyl monosulfide; AI3-18865; Spectrum3_001991; 592-88-1; Diallyl sulfide; InChI=1/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H; 4-01-00-02097 (Beilstein Handbook Reference); 3-prop-2-enylsulfanylprop-1-ene; W204218_ALDRICH; 2-Propenyl sulphide; EINECS 209-775-1; LS-16414; ZINC01531083; 1-Propene, 3,3'-thiobis-; 3-allylsulfanylprop-1-ene; FEMA No. 2042; C08370; CCRIS 3252; SDCCGMLS-0066835.P001; AIDS-109731; BRN 1736016; Diallyl thioether; AIDS109731; 3,3-Thiobis(1-propene); 132879-26-6; NCGC00095345-01; CC-26436; BSPBio_003591; A0235; Q-100687; diallylsulfide; 3,3'-Thiobis-1-propene, 9CI; KB-49700; KBio3_003027; Diallyl monosulfide; ACMC-209mc0; Allyl monosulfide; KSC490I9L; ST51046353; (CH2=CHCH2)2S; di-2-Propenyl sulfide; 3-prop-2-enylsulfanylprop-1-ene; CJ-24086; FEMA No. 2042; C08370; CCRIS 3252; SDCCGMLS-0066835.P001; Diallyl thioether; 132879-26-6; 4-Thia-1,6-heptadiene; SCHEMBL45800; Spectrum2_000837; NSC 20947; 3,3'-thiobis(prop-1-ene); Allyl sulfide, United States Pharmacopeia (USP) Reference Standard; SPECTRUM1505293; SBB060116; SR-05000002373; NSC-20947; AC1L1XQU; AI3-18865; MFCD00008658; 592-88-1; HSDB 7333; BDBM50318452; 1-Propene, 3,3'-thiobis-; 3-allylsulfanylprop-1-ene; RP19166; 7490AF; TRA0077955; FCH1115787; UNII-60G7CF7CWZ; NCGC00095345-01; DIALLYL SULFIDE; Allyl sulphide; Diallyl sulphide; TC-020290; DTXSID6060470; paragraph signthornI(c)+/-u>>uAoAN; 1-Propene,3,3'-thiobis-; SPBio_000793; 3-Allylsulfanyl-propene; NCGC00095345-02; 1-prop-2-enylthioprop-2-ene; Prop-1-ene-3,3'-thiobis; AKOS015897442; AN-46219; 3-(Allylsulfanyl)-1-propene; MCULE-7417537491; Spectrum3_001991; InChI=1/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H; 4-01-00-02097 (Beilstein Handbook Reference); RTC-020290; 2-Propenyl sulphide; EINECS 209-775-1; ZINC1531083; KS-00000X7D; CTK3J0495; MolPort-003-665-654; I09-0131; 3-(prop-2-en-1-ylsulfanyl)prop-1-ene; CCG-40295; DB-053358; FEMA 2042; Thioallyl ether; C-27437; WLN: 1U2S2U1; Dially monosulfide; Diallyl thioather; Allyl sulfide; 3-(Allylsulfanyl)-1-propene #; Allyl sulfide, 97%; Allyl sulfide, analytical standard; NSC20947; Allyl sulfide, >=97%, FG; STL453662; 60G7CF7CWZ; 1-Propene,3'-thiobis-; LS-16414; UBJVUCKUDDKUJF-UHFFFAOYSA-N; CHEBI:4489; ANW-33214; CHEMBL170458; C6H10S; SR-05000002373-1; CJ-05229; BRN 1736016; Oil garlic; 3,3-Thiobis(1-propene); FT-0624605 |
C6H10S |
114.21 g/mol |
C=CCSCC=C |
|
TCMBANKIN058052 |
diAllS2 |
3-prop-2-enyldisulfanylprop-1-ene; NSC 29228; Di(2-propenyl) disulfide; W202800_ALDRICH; Allyl disulphide; 3,3'-dithiobis(prop-1-ene); NCI60_002410; ZINC01531082; AI3-35128; SPECTRUM1505174; HSDB 595; 3-(prop-2-en-1-yldisulfanyl)prop-1-ene; 2179-57-9; Allyl disulfide; AIDS-005092; BRN 1699241; Diallyl disulphide; NCGC00095294-01; NSC29228; CHEBI:4488; Disulfide, di-2-propenyl; AIDS005092; C08369; 317691_ALDRICH; 3-allyldisulfanylprop-1-ene; 2-Propenyl disulfide; 3,3'-disulfanediylbis(prop-1-ene); 3-(allyldisulfanyl)-1-propene; 4,5-Dithia-1,7-octadiene; 4-01-00-02098 (Beilstein Handbook Reference); FEMA No. 2028; NCGC00095294-02; EINECS 218-548-6; 32621_FLUKA; CCRIS 6290; Diallyl disulfide; 2-Propenyl disulphide;allyl disulfide;diallyldisulfide;CAS-2179-57-9; DSSTox_RID_79248; CCG-214421; NCI60_002410; C-27435; Jsp004430; AI3-35128; HSDB 595; di-Propenyl disulfide; Allyl disulfide; 3-(prop-2-en-1-yldisulfanyl)prop-1-ene; SPECTRUM1505174; ZINC1531082; LS-16413; NCGC00095294-01; DTXSID9035206; TC-040016; UNII-609MRV3T0J component PFRGXCVKLLPLIP-UHFFFAOYSA-N; CHEBI:4488; SCHEMBL93944; MolPort-003-665-653; SR-05000002379; MFCD00008656; Garlicin?; DSSTox_CID_15206; CJ-24085; NSC-29228; Disulfide,di-2-propenyl; TRA0072391; FCH1114751; 2-Propenyl disulphide; Di(2-propenyl) disulfide; 3-(Allyldisulfanyl)-1-propene; 3-Allyldisulfanyl-Propene; Allyl disulfide, United States Pharmacopeia (USP) Reference Standard; AN-20744; FEMA 2028; diAllS2; CTK3J1568; CHEMBL366603; J-014293; Allitin; ACMC-1CDL1; Allyl disulfide, >=80%, FG; BDBM50318453; AC1L28A0; Disulfide, di-2-propen-1-yl; 1,2-Diallyldisulfane; A815665; FEMA No. 2028; 7491AF; NCGC00095294-02; API0002303; AKOS015840490; AK307043; ANW-24581; 3-(prop-2-enyldisulfanyl)prop-1-ene; 5HI47O6OA7; NSC 29228; DB-003623; Allyl disulphide; diprop-2-enyl disulfide; CJ-05228; 3,3'-dithiobis(prop-1-ene); Allyl disulfide, technical grade, 80%; DIALLYL DISULFIDE; 2179-57-9; Diallyldisulfide; ST51038174; KS-00000V5X; 3-(Allyldisulfanyl)-1-propene #; Diallyl disulfide, analytical standard; C6H10S2; 2-Propenyl disulfide; 4,5-Dithia-1,7-octadiene; D0071; EINECS 218-548-6; Diallyl disulfide, >=98% (HPLC); CCRIS 6290; PFRGXCVKLLPLIP-UHFFFAOYSA-N; Tox21_302178; MCULE-7486690483; UNII-5HI47O6OA7; 3-(allyldisulfanyl)prop-1-ene; Di-2-propenyl disulfide, 9CI; I09-0165; RTC-040016; KSC491K6R; NCGC00255533-01; BRN 1699241; Diallyl disulphide; NSC29228; DSSTox_GSID_35206; Disulfide, di-2-propenyl; CC-26440; C08369; 3,3'-disulfanediylbis(prop-1-ene); SC-77190; di-2-Propenyl disulfide; diallyldisulphide; 3-(prop-2-enyldisulfanyl)-1-propene; AC1Q7EA7; FT-0624594; SR-05000002379-1;diallyl disulfide ; diallyl disulfide |
C6H10S2 |
146.27 |
C=CCSSCC=C |
|
TCMBANKIN058057 |
D-Chiro-Inositol |
Chiro-inositol;mesoinositol; Myo-inositol; i-inositol; Inositol-c; scyllo-insitol; Inositol;KS-00001292; TR-022051; BG01505581; MFCD01321249; CTK1C5947; AKOS024318869; INOSITOL (D); Inositene; CHEBI:27374; D-(+)-chiro-Inositol; LT03328768; I-6500; 2H3; (1R,2R,3R,4S,5S,6s)-cyclohexane-1,2,3,4,5,6-hexaol; D07CPO; W-203081; NCGC00178580-01; ZINC103574430; Myoinositol; ZINC100019018; NSC-103959; SCHEMBL13114116; UNII-1VS4X81277; 12513-EP2292610A1; AKOS015912934; NSC25142; Inosite; (1R,2R,3R,4R,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexaol; BG00909558; 1,2,3,4,5,6-Cyclohexanehexol, (cis,cis,cis,trans,cis,trans)- #; BG01505582; NSC-127230; AK307531; Inositol, cis-; NSC 8101; 643-12-9; CHEBI:23311; MolPort-001-785-905; NSC-404118; KB-296111; 12513-EP2316831A1; K572; MolPort-003-719-862; Inositol, chiro-; Inositol (VAN8C; Isoinositol; I14-47230; GTPL4645; s4530; EINECS 211-394-0; 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE; CHEBI:22357; AK324051; Inositol [USAN:NF]; bmse000922; CDAISMWEOUEBRE-OQYPVSDDSA-N; DSSTox_RID_76890; NCGC00255362-01; 1VS4X81277; 1D-Chiro-inositol; chiro-inositol; BG01505565; 488-55-1; BG01505566; AKOS015960429; NSC103959; 576-63-6; SBI-0051369.P003; 1,2,4,5/3,6-cyclohexanehexol; I14-2742; 12513-EP2277880A1; AKOS015960633; J101.891D; A834712; Scyllitol; CHEBI:23927; KM0846; 1,2,3,4,5,6-Hexahydroxycyclohexane; Spectrum3_001053; HMS2091N13; MLS001332378; MolPort-001-742-552; NCIOpen2_008191; Cocositol; Phaseomannitol; Scyllite; myo-Inositol, 98% 100g; BSPBio_002606; KBio2_002075; FT-0693614; Inositol, United States Pharmacopeia (USP) Reference Standard; TR-017741; CCRIS 6745; STL453612; ZINC253837650; I0631; D03SHD; SCHEMBL6791918; 3635-EP2292088A1; AB00051982_13; CHEBI:17268; TR-022053; Iso-inositol; MFCD00077932; CTK8B3795; myo-Inositol, >=99%; GTPL4495; C19891; KSC225S4P; ZINC100073149; DSSTox_GSID_23146; MLS001335965; TL8004551; SMR000857319; bmse000102; AJ-26654; 887751-76-0; DB03106; UNII-9O6Y5O4P9W; 38876-99-2; myo-Inositol, BioUltra, >=99.5% (HPLC); Inositol, neo-; Matezodambose; 6R79WV4R10; I0040; Mesol; W-203392; NSC404118; 1,2,4/3,5,6-Cyclohexane-1,2,3,4,5,6-hexol; Rat antispectacled eye factor; Inositol FCC; 3635-EP2305682A1; 1,2,3,5/4,6-Cyclohexanehexol; BG01505593; cis-Inositol, >=98.0% (TLC); Tox21_302035; CDAISMWEOUEBRE-LOLGQZEGSA-N; 643-10-7; AKOS027327401; 1,2,4/3,5,6-Hexahydroxycyclohexane; 3635-EP2295417A1; CHEMBL278373; FT-0652045; 3635-EP2305677A1; 1,2,3,4,5,6-Cyclohexanehexol; Neo-inositol; (1s,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; Q-201583; Hexahydroxycyclohexane; SCHEMBL187278; (1S,2S,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; CHEMBL1231671; EINECS 207-682-0; I14-47232; 1D-myo-Inositol; CHEMBL468154; SCHEMBL13058696; SC-18136; 3635-EP2280282A1; DB13178; 3635-EP2289886A1; Spectrum_001595; Inositol, Pharmaceutical Secondary Standard; Certified Reference Material; NSC-757076; AKOS006240678; I14-60538; 12513-EP2374790A1; CJ-23964; AK102790; UNII-63GQX5QW03; INS; 87-89-8; Scyllite (for the structural isomer scyllo-Inositol); 2os9; CHEMBL1222251; I14-47231; MLS001335966; (1R,2R,3S,4R,5r,6S)-cyclohexane-1,2,3,4,5,6-hexaol; alloinositol; ANW-43204; 4irx; KS-1420; Inositol (VAN); inositols; 4L6452S749; C06153; (1R,2R,3R,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; Inosital; ZINC100037751; AB0014290; MEGxp0_001817; (1r,2R,3S,4r,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol; Inositol, myo-; ELND 005; 13719-EP2311831A1; cyclohexane-1,2,3,4,5,6-hexol; FT-0627237; AKOS015912905; KS-0000146H; (+)-Chiro-Inositol; AC1L1A9E; L-(-)-chiro-Inositol, 95%; (1R,2R,3R,4S,5S,6R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; myo-Inositol, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture; 3635-EP2305636A1; C06151; 12513-EP2292597A1; myo-Inositol, purum, >=98.0% (HPLC); Inositol, scyllo-; MFCD00799555; 12513-EP2298768A1; NSC-25142; 1,2,3/4,5,6-cyclohexanehexol; MFCD00799556; cis-1,2,4-trans-3,5,6-Cyclohexanehexol; ST24024704; Inositol, myo- (8CI); SCHEMBL13114115; GTPL4649; Bios I; M01914; ST50406013; NSC127230; FT-0632209; ZINC250615063; AC1Q2AJJ; SR-05000001655; Mesoinosite; Muscle sugar; ZINC102201844; 6917-35-7; myo-Inositol, European Pharmacopoeia (EP) Reference Standard; 3635-EP2308879A1; Insitolum; D-myo-Inositol, Cell Culture Grade; I0630; Spectrum4_001193; epi-Cyclohexanehexol; SCHEMBL187796; NSC-45517; CDAISMWEOUEBRE-GPIVLXJGSA-N; 488-54-0; CC-093; 40032-EP2298312A1; ZINC1530357; 13719-EP2308875A1; CHEBI:27987; AN-24133; epi-Inositol; (1r,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; Pharmakon1600-01500352; CDAISMWEOUEBRE-GNIYUCBRSA-N; Tox21_111642; UNII-6R79WV4R10; 13719-EP2316836A1; SMR000857145; HMS2230N03; (1s,2s,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexol; mesoinositol; NCGC00159409-04; CHEBI:27372; CJ-05199; SCHEMBL6378921; AK115152; (1/4) inverted exclamation markIC; SCHEMBL491333; myo-Inositol, Vetec(TM) reagent grade, 99%; 3635-EP2275412A1; ELND005; NCGC00169828-01; I0632; EINECS 207-681-5; 3635-EP2295437A1; SCHEMBL14542470; MolPort-003-848-190; Muco-Inositol; D0Y4UQ; Epi-inositol, 98%; 1,2,3,4,5,6/0-cyclohexanetetrol; Mesovit; D-chiro-Inositol, >=98.0% (HPLC); TRA-0204644; 36190-90-6; NSC 25142; cis-Inositol; (1R,2R,3S,4R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; SCHEMBL12377889; cis-1,2,3,5-trans-4,6-Cyclohexanehexol; i-Inositol; L-Inositol; CHEBI:10642; 12513-EP2305825A1; Chiro-inositol, (-)-; Inositol, muco-; Quercinitol; M94176HJ2F; HY-B1411; SCHEMBL12711208; SCHEMBL13580047; CDAISMWEOUEBRE-CDRYSYESSA-N; scyllo-Cyclohexanehexol; ZINC101185827; Allo-inositol; Tox21_111642_1; HMS3373E05; 1,3,5/4,6-Cyclohexanehexol; EINECS 209-000-7; KS-1284; W-203168; 13719-EP2280010A2; Phaseomannite; EPIINOSITOL; (+)-Epi-Inositol; NSC45517; Inositol (NF); 6643AB; (1R,2R,3S,4S,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexaol; SCHEMBL4748543; AK307315; 13719-EP2269977A2; 488-58-4; UNII-M94176HJ2F component CDAISMWEOUEBRE-LKPKBOIGSA-N; cis-1,3,5-trans-4,6-Cyclohexanehexol; SCHEMBL13114128; SCHEMBL6468882; UNII-587A93P465; scyllo-Inositol, >=98%; SMR000857320; D-chiro Inositol; AZD 103; SCHEMBL188237; SCHEMBL12411898; bmse000113; epi-Inositol, >=98.0% (HPLC); MLS001335967; 19030-27-4; AK307406; INOSITOL (L); KBio2_007211; Cyclohexane-1,2,3,4,5,6-hexaol; 41546-34-3; (1S,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; NSC8101; NSC-55551; 63GQX5QW03; (1R)-Cyclohexane-1r,2c,3t,4c,5t,6t-hexaol; myo -Inositol; ZINC306121118; D08DXZ; ST24049158; AX8234329; Inositol, epi-; TRA0065469; 551-72-4; 488-59-5; NSC55551; 1D7A27BF-6060-4FA9-AC46-3BD18DBA406E; 3635-EP2298312A1; Myoinosite; HMS2235M23; NSC-55552; Inositol [Nonspecific isomer]; A836375; SR-05000001655-5; myo-Inositol, SAJ special grade, >=99.0%; 13719-EP2298734A2; D-chiro-Inositol; HMS2235H05; AN-18118; (1S,2R,4R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; KBio3_001826; Inositol, meso-; ZINC103574467; AS-10616; CAS-87-89-8; Inositina; SCHEMBL959404; I0629; BG00909545; AmbotzGBB1246; EINECS 211-393-5; 1,3,5/2,4,6-cyclohexanehexol; EINECS 201-781-2; SCHEMBL5831; Meat sugar; neoinositol; 9O6Y5O4P9W; (-)-chiro-Inositol; 13719-EP2289891A2; AKOS015895894; 13719-EP2295437A1; (-)-Inositol; NSC55552; Cyclohexanehexol; Inosital (TN); Levoinositol; FT-0632208; BG01505583; cyclohexane-1R,2R,3S,4S,5R,6S-hexol; TL8004550; L-chiro-Inositol; Myo inositol; Spectrum5_000961; (1R,2S,3S,4R,5S,6r)-cyclohexane-1,2,3,4,5,6-hexol; myo-inositol; (1S,2R,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; MFCD00272608; MLS001332377; D08079; SCHEMBL12371461; meso-Inositol; D-myo-Inositol; Cyclohexitol; ZINC100018867; 1,2,3,4/5,6-cyclohexanehexol; D-(+)-chiro-Inositol, 95%; (1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; ACon1_002457; KBioGR_001885; NSC-8101; TR-019452; FT-0670357; AKOS015994742; ZINC100032893; NSC757076; CS-4782; allo-Inositol, 97%; AN-23658; Mesoinosit; KS-00000QA9; AKOS027320475; KBio2_004643; ZINC103574475; UNII-4L6452S749; SCHEMBL5969; ZINC100055570; 1,3,5/2,4,6-Hexahydroxycyclohexane; KS-000017FC; 3635-EP2298775A1; bmse000901; FCH1118762; NCGC00159409-03; R1Y9F3N15A; I14-101844; myo-Inositol, for microbiology, >=99.0%; I0633; Dambose; myo-Inositol, PharmaGrade, meets FCC testing specifications, Manufactured under appropriate controls for use as a raw material in pharma or biopharmaceutical production.; FT-0693444; 1-L-chiro-Inositol; (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol; SR-05000001655-1; SCHEMBL188106; L-(-)-chiro-Inositol; L-myo-Inositol; 1,2,3,4,5,6-Cyclohexanehexaol; UNII-M94176HJ2F component CDAISMWEOUEBRE-SHFUYGGZSA-N; ZINC100513675; 173524-45-3; 643C129; NSC-55558; CCG-36096; Mouse antialopecia factor; FT-0632730; NSC55558; 8LQ63P85IC; I0628; MolPort-006-111-433; NCI60_041778; CDAISMWEOUEBRE-NIPYSYMMSA-N; KBioSS_002075; C00137; CBU; 220128F1-89BF-442D-AD6D-E6D1EA7BA625; UNII-R1Y9F3N15A; D0B1EY; 1,2,3,5-trans-4,6-Cyclohexanehexol, cis-; MolPort-003-933-930; 587A93P465; CHEBI:25492; NSC 404118; UNII-M94176HJ2F; MCULE-2727773046; J101.890F; HMS3369F20; SCHEMBL5832; UNII-8LQ63P85IC; 12513-EP2277881A1; UNII-4661D3JP8D; 53319-35-0; MLS001335968; 1,2,3,4,5,6-Cyclohexanehexol #; myo-Inositol, p.a., 98.0%; meso-(1/4) inverted exclamation mark (1/4); AC-11070; SCHEMBL959405; NCGC00178580-03; (1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol; I06-1350; 1L-Chiro-inositol; SCHEMBL1055883; Nucite; LS-2350; RP24128; 1,2,3,4,5/6-cyclohexanehexol; GTPL4648; Epitope ID:144993; SCHEMBL12735687; AKOS006332036; Inositol NF 12; MFCD00003863; AK546883; 1,2,4/3,5,6-cyclohexanehexol; 13719-EP2298775A1; EINECS 230-024-9; W-202862; (1R,2R,3S,4S,5S,6R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; NCGC00159409-02; 4661D3JP8D; 1L-myo-Inositol; Scyllo-inositol; C06152; Chiro-inositol, (+)-; Inositol, i-; CHEMBL1950780; 1,2,3,4,5,6-cyclohexanhexol; 1,2,3,4,5,6-cyclohexanehexol, (1alpha,2alpha,3alpha,4beta,5alpha,6beta); D-(+)-Chiro Inositol; SC-91157; KS-00001315; NP-010162; I14-47229; VC30505; 4CH-024633; KB-251247; MFCD00065455; (1R,2R,3S,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; CDAISMWEOUEBRE-UHFFFAOYSA-N; ZINC100024490; Inositol, allo-; AI3-16111; Ambap6917-35-7; HMS3369B06; 7B0CEF84-D9CE-4A88-AA7D-EC50C89387A5; 1,3,4,5,6-Cyclohexanehexol; inositol; W-202861; SCHEMBL187397; DSSTox_CID_3146; ZINC100035580; 40032-EP2311830A1; 12513-EP2298744A2; K-9876; INOSITOL, MESO; CHEBI:24848; bmse000103; TR-016439; SCHEMBL13207905; (+)-Inositol; CHEMBL122705;cocositol;D-myo-inositol |
C6H12O6 |
180.16 g/mol |
C1(C(C(C(C(C1O)O)O)O)O)O |
|
TCMBANKIN058109 |
Pyrogallic acid |
PYG;1,2,3-Benzenetriol; Benzene, 1,2,3-trihydroxy-; 1,2,3-Trihydroxybenzene; BRN 0907431; Pyro; Piral; AIDS-002956; Fouramine Brown AP; ZINC00330141; P0381_SIGMA; 1,2,3-TRIHYDROXY-BENZENE; SMR000471842; 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM]; WLN: QR BQ CQ; 1,2,3-Trihydroxybenzen; 1,2,3-Trihydroxybenzen [Czech]; CI Oxidation Base 32; AIDS082397; Pyrogallol polymer; AIDS-082397; CCRIS 1940; Fourrine 85; C.I. 76515; fouramine base ap; InChI=1/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9; AIDS002956; Pyrogallic acid; C.I. Oxidation Base 32; AI3-00709; C01108; 254002_SIAL; Pyrogallol solution; CI 76515; HSDB 794; 87-66-1; CHEBI:16164; 83135_FLUKA; GMN; MLS001066376; Pyrogallol; C.I. Oxidation Base 32; 16040_RIEDEL; PYROP; Fourrine PG; 4-06-00-07327 (Beilstein Handbook Reference); BENZENE-1,2,3-TRIOL; NCGC00091507-01; AB-131/40221933; NSC5035; EINECS 201-762-9; c0025; NSC 5035;pyrogallol;Gallic phenol |
C6H6O3 |
126.11 g/mol |
C1=CC(=C(C(=C1)O)O)O |
|
TCMBANKIN058163 |
hydroxytyrosol |
AIDS470832; 10597-60-1; beta-3,4-Dihydroxyphenylethyl alcohol; 4-(2-hydroxyethyl)pyrocatechol; 1,2-Benzenediol, 4-(2-hydroxyethyl)-; 3,4-Dihydroxyphenylethanol; 2-(3,4-Dihydroxyphenyl)ethanol; dopet; AIDS-470832; 4-(2-hydroxyethyl)benzene-1,2-diol; Hydroxytyrosol; ST5437419; 3,4-dihydroxyphenethyl alcohol; 3,4-dihydroxyphenylethanol |
C8H10O3 |
154.16 g/mol |
C1=CC(=C(C=C1CCO)O)O |
|
TCMBANKIN058169 |
Original tea acid |
rose acids; Lemon Su; lemongrass acid |
C12H7Cl3O2 |
|
C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl |
|
TCMBANKIN058192 |
isoliquiritigenin |
HCC; KBio2_000625; SPBio_000949; Spectrum2_000875; 961-29-5; 2-PROPEN-1-ONE, 1-(2,4-DIHYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-; SPECTRUM1504200; Chalcone, 2',4,4'-trihydroxy-; CHEMBL1395334; KBio3_002631; NCGC00015556-01; SDCCGMLS-0066751.P001; ST5309279; (2E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; KBio2_003193; InChI=1/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3; (E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; CMLD3_000056; BSPBio_003411; C08650; CCRIS 7676; 2',4,4'-Trihydroxychalcone; Lopac0_000681; 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; I159_SIGMA; 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; Lopac-I-3766; CPD-3041; KBio1_001802; MEGxp0_001326; ZINC3869607; BRN 1914295; MLS000438943; SMR000112969; Acrylophenone, 2',4'-dihydroxy-3-(p-hydroxyphenyl)-; (2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; ACon1_000047; GU 17; KBioGR_002232; DivK1c_006858; KBio2_005761; 1-08-00-00707 (Beilstein Handbook Reference); 4,2′,4′-Trihydroxychalcone; (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; NCGC00090504-01; (Z)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; EU-0100681; Spectrum3_001656; AC1O7G44; 4,2',4'-Trihydroxychalcone; EINECS 237-316-5; I3766_SIGMA; AIDS035379; AIDS-035379; 13745-20-5; Spectrum5_000612; 2-propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-; Spectrum_000145; KBioSS_000625; Isoliquiritigenin; Spectrum4_001756; 42'4'-trihydroxychalcone; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (E)-; NCGC00090504-03; SpecPlus_000762; 2',4',4-trihydroxychalcone |
C15H12O4 |
256.25 g/mol |
C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O |
|
TCMBANKIN058252 |
tyramine |
AIDS018687; 4-(2-aminoethyl)phenol; p-.beta.-Aminoethylphenol; NINDS_000918; Spectrum2_000738; Spectrum3_000693; Phenol, p-(2-aminoethyl)-; HSDB 2132; tyraminium cation; to_000085; 2-(4-hydroxyphenyl)ethylammonium; Tenosin-Wirkstoff; tyraminium(1+); Spectrum5_000501; Lopac-T-2879; 4-Hydroxyphenethylamine; NSC249188; InChI=1/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H; BSPBio_002445; SMR000059295; Oprea1_294339; SGCUT00017; AC1NRWHX; KBio2_004261; Uteramine; BB_NC-1362; 2-(4-hydroxyphenyl)ethylazanium; 2-(4-Hydroxyphenyl)ethylamine; SPBio_000696; 3bra; Phenethylamine, p-hydroxy-; Spectrum4_001801; NCGC00063825-05; BRN 1099914; 4-Hydroxy-.beta.-phenylethylamine; 4-Hydroxyphenethylamine ((tyramine); 2-(p-Hydroxyphenyl)ethylamine; 93810_FLUKA; KBio1_000918; 51-67-2 (FREE BASE); NSC 249188; NCGC00063825-04; p-Hydroxy-.beta.-phenethylamine; NCGC00016011-01; 59880-97-6 (HCL); BPBio1_001394; ZB000512; 4-(2-Aminoethyl)phenol; KBioSS_001693; p-Hydroxyphenylethylamine; DivK1c_000918; p-Hydroxyphenethylamine; p-beta-Aminoethylphenol; NCGC00063825-07; .alpha.-(4-Hydroxyphenyl)-.beta.-aminoethane; IDI1_000918; Benzeneethanamine, 4-hydroxy-; tyraminium; WLN: Z2R DQ; beta-Hydroxyphenylethylamine; A828724; alpha-(4-Hydroxyphenyl)-beta-aminoethane; KBio2_001693; KBio3_001665; p-Tyramine; 4-Hydroxyphenylethylamine; T90344_ALDRICH; Tocosine; KBio2_006829; MLS000079096; Phenol, 4-(2-aminoethyl)-; EINECS 200-115-8; BDBM50067723; 2-(4-hydroxyphenyl)ethanaminium; Tyrosamine; .beta.-(4-Hydroxyphenyl)ethylamine; C00483; Biomol-NT_000075; Tyramine; Systogene; 4-13-00-01788 (Beilstein Handbook Reference); p-(2-Aminoethyl)phenol; 51-67-2; 2-(4-Hydroxy-phenyl)-ethyl-ammonium; Spectrum_001213; Lopac0_001136; NCGC00063825-08; CJ-00085; CHEBI:15760; CHEBI:327995; KBioGR_002405; SPECTRUM210400; LS-189905; (4-hydroxyphenethyl)ammonium; AIDS-018687; Tyramin; 4-Hydroxyphenethylaminium |
C8H11NO |
137.18 |
C1=CC(=CC=C1CCN)O |
|
TCMBANKIN058255 |
Tyrosol |
NSC 59876; 4-Hydroxybenzeneethanol; P-HYDROXYPHENETHYL ALCOHOL; NSC59876; tyrosol; 56105_FLUKA; Benzeneethanol, 4-hydroxy-; 2-(4-Hydroxyphenyl)ethanol; 4-Hydroxyphenethyl alcohol; 2-(P-HYDROXYPHENYL)ETHANOL; ZINC00164581; SB 01196; 4-(2-hydroxyethyl)phenol; InChI=1/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H; EINECS 207-930-8; 4-Hydroxyphenylethanol; CHEBI:1879; 501-94-0; 188255_ALDRICH; 79058_FLUKA; C06044; 2-(4-hydroxyphenyl)-ethanol; 4-hydroxyphenethyl alcohol; p-hydroxyphenylethanol; p-hydroxyphenethyl alcohol; 2-(4-hydroxyphenyl)ethanol; p-hydroxyphenylethyl alcohol |
C8H10O2 |
138.16 g/mol |
C1=CC(=CC=C1CCO)O |
|
TCMBANKIN058266 |
niacinamide;nicotinamide |
Nicotinamide compound with [1,3,4]thiadiazol-2-yl-cyanamide; AC1MHXJ9; pyridine-3-carboxamide; 1,3,4-thiadiazol-2-ylcyanamide; LY217896 & Nicotinamide |
C6H6N2O |
122.12 g/mol |
C1=CC(=CN=C1)C(=O)N |
|
TCMBANKIN058277 |
2-hydroxybenzoic acid |
O-hydroxybenzoic acid; 3- coffee acid; Thick-stemmed black base |
C7H6O3 or HOC6H4COOH |
138.12 g/mol |
C1=CC=C(C(=C1)C(=O)O)O |
|
TCMBANKIN058291 |
WLN: ZVR |
HSDB 6360; Phenylcarboxamide; Benzenecarboxamide; 4-09-00-00725 (Beilstein Handbook Reference); 399337_ALDRICH; BENZOIC ACID,AMIDE; Amid kyseliny benzoove; 135828_ALDRICH; AIDS-018394; InChI=1/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9; STK069333; MLS000069472; Benzoic acid amide; ZINC00152996; ARONIS003511; AI3-01031; 27208-38-4; Amid kyseliny benzoove [Czech]; AIDS018394; NCGC00091355-01; Phenyl Carboxyamide; Phenylcarboxyamide; C09815; Benzamide; NSC3114; 55-21-0; CHEBI:28179; NSC 3114; NCGC00015142-01; Lopac-B-2009; BRN 0385876; Lopac0_000160; EINECS 200-227-7; EU-0100160; Benzoylamide; 150762_ALDRICH; CCRIS 4594; c0368; SMR000059089;benzamide |
C7H7NO |
121.14 |
C1=CC=C(C=C1)C(=O)N |
|
TCMBANKIN058293 |
BOX |
FEMA No. 2131; Benzenemethanoic acid; Retardex; Caswell No. 081; LS-280; Benzeneformic acid; benzoic acid; 1863-63-4 (AMMONIUM SALT); E 210; 65-85-0; 109479_SIAL; benzenecarboxylic acid; Benzoic acid (TN); NSC7918 (AMMONIUM SALT); AI3-03710; WLN: QVR; BEZ; 582-25-2 (POTASSIUM SALT); Kyselina benzoova; 33047_RIEDEL; C00180; Flowers of benzoin; HSDB 704; W213128_ALDRICH; ST5213864; nchembio.2007.22-comp2; C03096; D00038; B8027_SIGMA; Kyselina benzoova [Czech]; InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9; EPA Pesticide Chemical Code 009101; Benzoesaeure [German]; Benzoesaeure; 18102_RIEDEL; Benzoic acid [USAN:JAN]; W213101_ALDRICH; 8013-63-6; Dracylic acid; Unisept BZA; AIDS-018010; phenylformic acid; Benzoic acid (JP15/USP); 47849_SUPELCO; Retarder BA; Aromatic hydroxy acid; B2670_SIGMA; CHEBI:30746; B2920_SIGMA; Mettler Toledo Calibration substance ME 18555, Benzoic acid; CCRIS 1893; Benzoesaeure GV; Acido benzoico [Italian]; Benzoic acid (natural); NSC149; Benzoic acid-ring-UL-14C; Benzoesaeure GK; Acide benzoique; Flowers of benjamin; Benzoic acid, tech.; AI3-0310; HA 1 (acid); Salvo liquid; Acide benzoique [French]; 12353_FLUKA; Tenn-Plas; Carboxybenzene; 242381_SIAL; Salvo, liquid; AIDS018010; Phenylcarboxylic acid; NCGC00091886-01; Solvo powder; 427608_ALDRICH; Benzoic acid (7CI,8CI,9CI); 33045_RIEDEL; HA 1; 73983_FLUKA; Solvo, powder; Benzoate (VAN); NSC 149; EINECS 200-618-2;benzenecarboxylic acid |
C7H6O2 |
122.12 |
C1=CC=C(C=C1)C(=O)O |
|
TCMBANKIN058314 |
benzaldehyde |
SCHEMBL896024; A804633;Benzoic aldehyde;WLN: VHR;InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6; CHEBI:17169; Benzene methylal; B1334_ALDRICH; Ald3-H_000012; Benzenecarbonal; Benzaldehyde (natural); NCGC00091819-01; AI3-09931; EINECS 202-860-4; Oil of Bitter Almond; ST5213372; Artificial essential oil of almond; nchembio814-comp15; LS-27; EPA Pesticide Chemical Code 008601; BENZALDEHYDE; W212709_ALDRICH; Ald3.1-H_000160; D02314; Benzenemethylal; NCI-C56133; HSDB 388; 12010_FLUKA; Ald3.1-H_000479; Benzaldehyde FFC; W212717_ALDRICH; Benzene carbaldehyde; CCRIS 2376; 100-52-7; Benzaldehyde [UN1990] [Class 9]; Caswell No. 076; Benzenecarboxaldehyde; Benzoyl hydride; Ald3.1-H_000798; Benzaldehyde (NF); Artificial Almond Oil; Benzaldehyde [USAN]; Artificial Bitter Almond Oil; 09143_FLUKA; C00261; Synthetic oil of bitter almond; FEMA No. 2127; ghl.PD_Mitscher_leg0.170; c0279; 418099_ALDRICH; Benzoic aldehyde; Benzene carboxaldehyde; benzanoaldehyde; Bitter almond oil, synthetic; UN1990; NSC7917; Almond Artificial Essential Oil; NSC 7917; Benzadehyde; Phenylmethanal |
C7H6O |
106.12 |
C1=CC=C(C=C1)C=O |
|
TCMBANKIN058328 |
benzyl cyanide;WLN: NC1R; |
benzylcyanide; Acetic acid, phenyl-nitrile; CAS-140-29-4; ST51017243; NSC118418; Benzylkyanid [Czech]; Toluene, .alpha.-cyano-; .alpha.-Cyanotoluene; 140-29-4; AI3-04975; BnCN; ACMC-1C0PN; DTXSID2021492; .alpha.-Tolunitrile; KSC175C3P; AKOS000118943; alpha-Cyanotoluene; MCULE-3500109780; UN 2470; phenylacetonitile; benzene-acetonitrile; Phenylacetonitrile, liquid [UN2470] [Poison]; Toluene, alpha -cyano-; CTK0H5137; Z57131036; Benzeneacetonitrile; AN-23174; EC 205-410-5; C8H7N; P0128; CHEMBL3560735; Phenyl acetyl nitrile; 2-phenylethanenitrile; Tox21_200217; 2-phenyl-acetonitrile; AS01366; UNII-23G40PRP93; EINECS 205-410-5; alpha -cyano-; Benzylkyanid; LABOTEST-BB LT00891699; WLN: NC1R; KB-47802; NSC 118418; NCGC00090854-01; Benzyl cyanide, 98%; UN2470; 23G40PRP93; DEA Code 8735; NCGC00257771-01; Toluene, alpha-cyano-; PubChem20468; 56620-16-7; benzene acetonitrile; .omega.-Cyanotoluene; DSSTox_CID_1492; BENZYL CYANIDE; LS-817; AC1L1RPP; OTAVA-BB 1519434; Phenylacetonitrile, liquid [UN2470] [Poison]; Acetonitrile, phenyl-; 2-Phenylacetonitrile; HSDB 2103; alpha -tolunitrile; DB-004016; KS-000000HS; Benzylnitrile; benzyl-cyanide; J-519675; Phenylacetonitrile, liquid; omega-Cyanotoluene; NSC3407; Phenylacetonitrile; Benzyl nitrile; C16074; phenylacteonitrile; AC1Q4S1D; USAF KF-21; A-TOLUNITRILE; SUSQOBVLVYHIEX-UHFFFAOYSA-N; Benzyl cyanide, >=99%; A807640; TRA0004632; SBB058386; RTC-061401; Phenacetonitrile; cyano(phenyl)methyl; CHEBI:25979; alpha-Cyano-Toluene; SC-26879; FT-0657342; Benzeneacetonitrile, 9CI; NSC-3407; S01-0547; ZINC1666748; Phenyl-acetonitrile; enzylcyanide; Benzyl cyanide, analytical standard; ANW-20559; DSSTox_RID_76184; alpha-phenylacetonitrile; CJ-26987; MFCD00001894; NSC-118418; laquo Omegaraquo -cyanotoluene; InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H; Cyanophenylmethane; SCHEMBL37831; F0001-0481; CCRIS 4698; DSSTox_GSID_21492; alpha -cyanotoluene; NCGC00090854-02; alpha-Tolunitrile; RP19286; (Cyanomethyl)benzene; MolPort-001-768-890;Acetic acid, phenyl-nitrile; Benzeneacetonitrile; omega-cyanotoluene; Toluene, alpha-cyano-; Usaf kf-21; NSC118418; 185728_ALDRICH; Benzylkyanid [Czech]; CHEBI:25979; 13300_FLUKA; .omega.-Cyanotoluene; Phenyl acetyl nitrile; Toluene, .alpha.-cyano-; c0647; Phenyl-acetonitrile; .alpha.-Cyanotoluene; 140-29-4; AI3-04975; Acetonitrile, phenyl-; 2-Phenylacetonitrile; EINECS 205-410-5; HSDB 2103; .alpha.-Tolunitrile; B19401_ALDRICH; alpha-Cyanotoluene; Benzylnitrile; InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H; Phenylacetonitrile, liquid; CCRIS 4698; Benzyl cyanide; NSC3407; Phenylacetonitrile; Benzyl nitrile; NSC 118418; Phenylacetonitrile, liquid [UN2470] [Poison]; alpha-Tolunitrile; ZINC01666748; C16074; NCGC00090854-01; UN2470; (Cyanomethyl)benzene;phenylacetonitrile;Benzyl nitrile |
C8H7N |
117.15 g/mol |
C1=CC=C(C=C1)CC#N |
|
TCMBANKIN058334 |
benzene acetaldehyde |
benzeneacetaldehyde; HY1; c0210; alpha-Tolyaldehyde; 1-Oxo-2-phenylethane; 107395_ALDRICH; Acetaldehyde,phenyl- (8CI); ZINC00895323; Phenylacetic aldehyde; alpha-Tolualdehyde; NSC406309; alpha-Toluic aldehyde; 2-phenylacetaldehyde; NSC 406309; CHEBI:16424; FEMA No. 2974; 122-78-1; Phenylacetaldehyde solution; .alpha.-Tolualdehyde; W287407_ALDRICH; PHENYLACETALDEHYDE; W287415_ALDRICH; Benzylcarboxaldehyde; .alpha.-Toluic aldehyde; hyacinthin; Acetaldehyde,phenyl-; Phenylethanal; InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H; NCIOpen2_003602; AI3-02175; 77800_FLUKA; Phenylacetaldehyde (natural); 2-Phenylethanal; Oxophenylethane; Benzeneacetaldehyde; EINECS 204-574-5; C00601; phenylacetaldehyde; Hyacinthin |
C8H8O |
120.15 g/mol |
C1=CC=C(C=C1)CC=O |
|
TCMBANKIN058349 |
phenethylamine |
2-PHENYLETHYLAMINE SULFATE; AC1O4DZ7;PEA;NSC10811; (2-Aminoethyl)polystyrene; 81559_FLUKA; 2-phenylethanamine; Phenethylamine; Benzeneethanamine; Polystyrene A-NH2; Ethanamine, 2-phenyl-; 64-04-0; BRN 0507488; 2-Fenylethylamin [Czech]; .beta.-Phenylaethylamin; 41346_FLUKA; NSC 10811; ST5213756; 4-12-00-02453 (Beilstein Handbook Reference); beta-phenylethylamine; 81558_FLUKA; 1-Phenyl-2-aminoethane; beta-Aminoethylbenzene; Ethylamine, 2-phenyl-; beta-Phenylaethylamin [German]; SMR000471837; NCGC00163366-01; 241008_ALDRICH; 1-Amino-2-phenylethane; EINECS 200-574-4; 2-phenylethylamine; AI3-03117; W322008_ALDRICH; PHENETHYLAMINE, BETA; InChI=1/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H; AIDS-018561; PHENYLETHYLAMINE; .omega.-Phenylethylamine; C05332; .beta.-Phenethylamine; 2-Phenethylamine; CHEBI:18397; 1-Phenyl-2-amino-athan; FEMA No. 3220; AIDS018561; beta-Phenethylamine; .beta.-Aminoethylbenzene; .beta.-Phenylethylamine; WLN: Z2R; 1-Phenyl-2-amino-athan [German]; HSDB 3526; MLS001066395; 128945_ALDRICH; 2-Amin |
C8H11N |
121.18 g/mol |
C1=CC=C(C=C1)CCN |
|
TCMBANKIN058364 |
IPH |
NCI-C50124; Phenol, liquid; Baker's P and S Liquid and Ointment; 48556_SUPELCO; Un 2812 (solution); Carbolic oil; 16018_RIEDEL; P4557_SIAL; AI3-01814; 52463_FLUKA; UN2821; Phenol, sulfurated; NSC 36808; (14C)Phenol; Phenic; 242322_SIAL; Fenolo; Phenol, chloro derivs.; 185450_SIAL; Paoscle (TN); P4682_SIAL; Fenosmoline; Phenole [German]; Phenole; PhOH; 328111_SIAL; 77614_FLUKA; acide phenique; UN2312; ST5214353; Carbolic acid, liquid; Phenol [JAN]; Liquid phenol; LS-476; P3653_SIAL; Phenol, solid [UN1671] [Poison]; NCGC00091454-03; RCRA waste number U188; WLN: QR; W322318_ALDRICH; Phenol (liquid); Phenol (or solutions with 5% or more phenol); Caswell No. 649; 16016_RIEDEL; Baker's p and s; Phenol, synthetic; Fenolo [Italian]; Phenol, pure; Phenol solution; HSDB 113; Phenyl alcohol; Oxybenzene; Izal; C15584; FEMA No. 3223; phenylalcohol; AIDS-000352; NSC36808; Phenol (TN); Phenol alcohol; 40063_SUPELCO; Phenol-UL-14C; UN 1671 (solid); 16017_RIEDEL; 33517_RIEDEL; InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7; Acide carbolique [French]; carbolic acid; Synthetic phenol; Phenyl hydroxide; Fenol [Dutch, Polish]; RCRA waste no. U188; NCGC00091454-01; P1037_SIAL; UN1671; 46344_RIEDEL; 35952_RIEDEL; Fenol; ZINC00895069; Phenol, labeled with carbon-14; Fenosmolin; Baker's P & S liquid & Ointment; Monophenol; Phenylic alcohol; 564796_ALDRICH; Monohydroxybenzene; Phenol solutions [UN2821] [Poison]; 77607_FLUKA; Phenol, molten [UN2312] [Poison]; 297437_SIGMA; P9346_SIAL; CHEBI:15882; c0128; Carbolsaure [German]; EINECS 203-632-7; Phenol (JP15/USP); Phenyl hydrate; Phenol, polymer-bound; UN 2312 (molten); D00033; EPA Pesticide Chemical Code 064001; EINECS 262-972-4; 48688_SUPELCO; Phenol, liquefied; Phenol, chlorinated; Benzene, hydroxy-; CCRIS 504; Karbolsaeure; Paoscle; Liquified Phenol; Acide carbolique; Monohydroxy benzene; P5566_SIAL; NCGC00091454-02;phenylic alcohol;NCI-C50124; 582-EP2308872A1; UN 2312; 582-EP2284148A1; 582-EP2308875A1; 582-EP2275404A1; 582-EP2292597A1; Phenol, liquid; 582-EP2315502A1; AC1Q791G; 582-EP2305689A1; NCGC00259188-01; 582-EP2295426A1; Campho-Phenique Liquid; 582-EP2380872A1; 582-EP2311464A1; 582-EP2316937A1; 3f39; 78049-EP2277868A1; Carbolsaeure; 582-EP2284157A1; J-610001; Carbolsaure; UN2821; 582-EP2305698A2; 582-EP2279750A1; 582-EP2308861A1; AJ-53232; 108-95-2; 582-EP2275395A2; MFCD00002143; 582-EP2275105A1; Phenole [German]; Phenole; AC1L1AHZ; 582-EP2286812A1; 582-EP2308877A1; Phenol, detached crystals, 99% 100g; acide phenique; 582-EP2287166A2; P1610; 582-EP2301538A1; 582-EP2301919A1; 582-EP2316470A2; Hydroxybenzene; Tox21_113463_1; 61788-41-8; 582-EP2316974A1; 14534-23-7; NCGC00091454-03; WLN: QR; Phenol, SAJ first grade, >=98.0%; 582-EP2277879A1; Phenol (or solutions with 5% or more phenol); benzenod; 582-EP2277881A1; Baker's p and s; RL00383; Phenol, pure; 582-EP2301924A1; PHENOL- D6; HSDB 113; Hydroxy-benzene; Izal; Phenol, unstabilized, purified by redistillation, >=99%; C15584; Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC), crystalline (detached); NCGC00091454-04; 582-EP2280021A1; UN 1671 (solid); C6H6O; InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7; 582-EP2298758A1; 582-EP2272817A1; 582-EP2308848A1; Phenol solution, BioReagent, Saturated with 0.1 M citrate buffer, pH??4.3 +/- 0.2, for molecular biology; Phenol [USP:JAN]; 582-EP2289879A1; H2391; 582-EP2305649A1; 582-EP2308873A1; Phenol, LR, >=99%; AK113559; 582-EP2298753A1; NCGC00091454-07; RCRA waste no. U188; Phenol, ultrapure; 582-EP2311811A1; SMR000568492; Fenosmolin; 582-EP2302015A1; Phenylic alcohol; 78049-EP2277870A1; Pandy's reagent; 582-EP2280004A1; 582-EP2301926A1; Liquefied phenol BP; Carbolsaure [German]; EINECS 203-632-7; 8002/7/1; 582-EP2272849A1; Phenol, BioXtra, >=99.5% (GC); ISWSIDIOOBJBQZ-UHFFFAOYSA-N; 582-EP2301935A1; 582-EP2308880A1; FT-0645154; Paoscle; Phenol molten; 50356-25-7; 582-EP2295424A1; AB1002201; Benzenol; BDBM26187; Phenol, >=99%; 582-EP2311814A1; Fenol(DUTCH, POLISH); 582-EP2280003A2; 582-EP2311494A1; 1li2; 582-EP2316832A1; 1ai7; Un 2812 (solution); Carbolic oil; 582-EP2298759A1; AI3-01814; Phenol, sulfurated; 582-EP2298778A1; (14C)Phenol; 582-EP2301929A1; Phenol, PESTANAL(R), analytical standard; 582-EP2295434A2; BIDD:ER0293; NCGC00254019-01; I01-9247; 582-EP2275411A2; 582-EP2308838A1; Paoscle (TN); 582-EP2284147A2; EC 203-632-7; Fenosmoline; hydroxybenzend; PhOH; 582-EP2272813A2; 582-EP2305687A1; Phenol, detached crystals; Phenol, AR, >=99.5%; MolPort-000-871-946; Tox21_113463; PHENOL, 80% in ethanol; 582-EP2272822A1; DSSTox_RID_75955; Phenol solution, 100 mug/mL in acetonitrile, PESTANAL(R), analytical standard; Carbolic acid, liquid; Liquid phenol; 582-EP2277570A2; Phenol, >25% in a non hazardous diluent; Phenol (liquid); Phenol, for molecular biology; Caswell No. 649; 582-EP2277568A2; Phenol, synthetic; Fenolo [Italian]; 582-EP2305674A1; 4-hydroxybenzyl group; 582-EP2295429A1; 582-EP2287162A1; 78049-EP2272846A1; Phenol, p.a., ACS reagent, 99.5-100.5%; FEMA No. 3223; Phenol (TN); Phenol (JP17/USP); DTXSID5021124; 582-EP2287161A1; 582-EP2305673A1; 582-EP2295399A2; 139-02-6 (hydrochloride salt); 582-EP2305664A1; 582-EP2371811A2; 582-EP2374784A1; 582-EP2277569A2; 582-EP2305695A2; BP-30160; 582-EP2308510A1; KB-59534; 582-EP2298744A2; Phenol, natural, 97%, FG; 582-EP2295437A1; carbolic acid; 582-EP2280010A2; 582-EP2284160A1; 582-EP2287165A2; Fenol [Dutch, Polish]; UN1671; 582-EP2371807A1; Phenol, labeled with carbon-14; Phenol, United States Pharmacopeia (USP) Reference Standard; UN 2821; Liquefied phenol; Monohydroxybenzene; bmse000290; 582-EP2289892A1; 582-EP2311822A1; Cepastat lozenges; Phenol solutions; 78049-EP2292608A1; 582-EP2305625A1; 582-EP2305684A1; Phenol, polymer-bound; 582-EP2301983A1; Phenyl hydrate; UN 2312 (molten); 582-EP2280020A1; 582-EP2308878A2; Phenol, BP grade 80% aqueous solution; MCULE-9943948107; EINECS 262-972-4; KS-00000VIO; DB03255; UNII-339NCG44TV; 582-EP2311831A1; Phenol, molten [UN2312] [Poison]; Monohydroxy benzene; NCGC00091454-02; 582-EP2316833A1; LS-105199; Phenol solution, 5000 mug/mL in methanol, certified reference material; 582-EP2277567A1; Cuticura pain relieving ointment; 582-EP2277867A2; 582-EP2298742A1; 582-EP2316824A1; 582-EP2314579A1; 582-EP2305243A1; Baker's P and S Liquid and Ointment; 582-EP2372017A1; 582-EP2316829A1; F1908-0106; AN-22534; 582-EP2305627A1; ACMC-1CE2K; 582-EP2280006A1; NSC 36808; 582-EP2284169A1; Fenolo; PHENOL, ACS; 78049-EP2371806A1; DSSTox_GSID_21124; 582-EP2295428A2; 582-EP2289883A1; Liquefied phenol (TN); UN 1671; 582-EP2284146A2; 582-EP2301937A1; 582-EP2305633A1; Phenol synthetic; Phenol [JAN]; Phenolated water for disinfection; MLS001065591; Phenol solutions [UN2821] [Poison]; NSC-36808; Phenol homopolymer; Phenol, solid [UN1671] [Poison]; DSSTox_CID_1124; 582-EP2269997A2; 582-EP2311455A1; NCGC00091454-05; 582-EP2308840A1; Phenol stock solution, 100 mg/dL, standard; C00146; PHENOL REAGENT; 582-EP2301536A1; 582-EP2272972A1; 582-EP2305808A1; Phenyl alcohol; 582-EP2316836A1; 582-EP2371806A1; 582-EP2281819A1; 78049-EP2371807A1; Phenol, polymer-bound, 100-200 mesh, extent of labeling: 0.5-1.5 mmol/g loading, 1 % cross-linked with divinylbenzene; 582-EP2305648A1; 582-EP2305640A2; 582-EP2314571A2; Phenol, >=96.0% (calc. on dry substance, T); Phenol, BioUltra, for molecular biology, >=99.5% (GC); I14-62966; NA 2821; SC-26791; Phenol,industrial; Phenol for disinfection (JP17); 582-EP2374785A1; 582-EP2277872A1; Phenol polymer-bound; CS0062; 582-EP2281817A1; AKOS000119025; 582-EP2305679A1; 582-EP2275420A1; 582-EP2275403A1; 582-EP2311834A1; NCGC00091454-01; Fenol; Tox21_300042; Baker's P & S liquid & Ointment; bmse010026; Liquified Phenol, meets USP testing specifications, >=89.0%; Campho-Phenique Cold Sore Gel; CAS-108-95-2; CRISTALESDEFENOL; 582-EP2284165A1; 582-EP2314576A1; Carbolic acid liquid; 582-EP2308865A1; TEA polyphenol; 582-EP2270003A1; 582-EP2270101A1; 78049-EP2308866A1; C6H5OH; ANW-15995; D00033; 63496-48-0; AM802906; Phenosmolin; Liquefied phenol (JP17); 582-EP2311829A1; Phenol, ACS reagent; Benzene, hydroxy-; CCRIS 504; Phenol, 90% aqueous solution; Hydroxybenzene solution; 582-EP2280012A2; Acide carbolique; CTK0H5673; 582-EP2269975A2; 582-EP2277566A2; 582-EP2298776A1; 78049-EP2277869A1; Phenic alcohol; p-Hydroxy polystyrene (100-200 mesh, 0.5-1.5 mmol/g); 582-EP2295438A1; NCGC00091454-06; Phenol, solid; 582-EP2295427A1; Phenol, contains hypophosphorous as stabilizer, loose crystals, ACS reagent, >=99.0%; 582-EP2305033A1; 582-EP2275415A2; 582-EP2311808A1; 582-EP2272973A1; Phenol, JIS special grade, >=99.0%; Phenol, >=99.0%; 52009-05-9; 582-EP2314295A1; Phenic; 582-EP2298750A1; PHENOL, ULTRA PURE; 582-EP2298734A2; phenol; 582-EP2287167A1; 582-EP2284178A2; Tox21_201639; 582-EP2272935A1; 27073-41-2; 582-EP2270113A1; 582-EP2305697A2; Phenol, molten; UN2312; LS-476; 582-EP2289509A2; Phenol, puriss. p.a., ACS reagent, reag. Ph. Eur., 99.0-100.5%; IPH; PHENOL REAGE NT; 78049-EP2287158A1; Phenol solution; Oxybenzene; Phenol for disinfection (TN); 582-EP2298775A1; Campho-Phenique Gel; phenylalcohol; Phenol liquid; NSC36808; 582-EP2377842A1; Phenol alcohol; Phenol 10 microg/mL in Methanol; 4i7l; RTR-002010; hydroxy benzene; Phenol, BioUltra, for molecular biology, TE-saturated, ~73% (T); Carbolicum acidum; 582-EP2292280A1; Phenol, unstabilized, ReagentPlus(R), >=99%; 56322-06-6; 582-EP2314588A1; Acide carbolique [French]; 582-EP2274983A1; Synthetic phenol; 582-EP2289891A2; Phenyl hydroxide; Phenic acid; phenylic acid, phenyl hydroxide; MFCD03703209; 582-EP2277565A2; 2-hydroxybenzoyl group; LTBB002354; 582-EP2287158A1; Monophenol; Phenol 100 microg/mL in Methanol; 582-EP2269977A2; 582-EP2289965A1; 582-EP2286811A1; Phenol solutions [UN2821] [Poison]; 582-EP2292620A2; 582-EP2316831A1; Phenol, molten [UN2312] [Poison]; 582-EP2305696A2; 73607-76-8; ZINC5133329; 582-EP2280001A1; 582-EP2295411A1; CHEBI:15882; Phenol solution, certified reference material, 500 mug/mL in methanol; 582-EP2289896A1; 582-EP2308471A1; 339NCG44TV; 582-EP2305668A1; phenyloxidanyl; Rcra waste number U188; EPA Pesticide Chemical Code 064001; Phenol, solid [UN1671] [Poison]; 582-EP2305662A1; CHEMBL14060; 582-EP2316452A1; 97694-EP2305662A1; Phenol, liquefied; 582-EP2311824A1; Phenylic acid; Karbolsaeure; 582-EP2289868A1; Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, 99.5-100.5% (GC); Liquified Phenol; Phenol, for molecular biology, ~90% (T), liquid; Phenolated water; 582-EP2305685A1; 582-EP2292608A1; Phenol solution, BioReagent, Equilibrated with 10??mM Tris HCl, pH??8.0, 1??mM EDTA, for molecular biology;4-[5-phenyl-4,5-dihydro-3-isoxazolyl)-2-methylphenol; 2-methyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol;phenylic acid;phenol;hydroxybenzene |
C6H6O |
94.11 g/mol |
C1=CC=C(C=C1)O |
|
TCMBANKIN058375 |
tryptophan |
(3s)2,3-dihydro-l-tryptophan; ZINC32141959;tryptophane;WV;L-tryptophan;HSDB 4142; Tryptophan, L-(8CI); AC1Q4U80; L-Tryptophan, Vetec(TM) reagent grade, >=98%; alpha-Aminoindole-3-propionic acid; SR-01000075590-1; ZINC83315; 1-beta-3-Indolylalanine; L-(-)-Tryptophane; MolPort-044-812-611; IDI1_000457; MFCD00064340; L-2-Amino-3-indolepropionic acid; 8DUH1N11BX; STR02722; NCGC00261868-01; EU-0101183; Lopac0_001183; Tryptophan, L-; 80206-30-0; Tryptophan, European Pharmacopoeia (EP) Reference Standard; (s)-a-amino-b-indolepropionate; Tox21_201246; L-Trytophan; bmse000868; TC-066620; (S)-2-amino-3-(1H-Indol-3-yl)-propionic acid; Sedanoct; UNII-8DUH1N11BX; L-Tryptophan, from non-animal source, meets EP, JP, USP testing specifications, suitable for cell culture, 99.0-101.0%; Propionic acid, 2-amino-3-indol-3-yl; Propionic acid, 2-amino-3-indol-3-yl-; NINDS_000457; NCI-C01729; (S)-alpha-Aminoindole-3-propionate; L-Tryptophan, Cell Culture Reagent; (S)-2-Amino-3-(1H-indol-3-yl)propanoic acid; bmse001017; AB1007074; tryptophan; BB_NC-1911; 2-amino-3-indol-3-ylpropionic acid; 154635-35-5; Pacitron; L-tryptophan; 2-Amino-3-indolylpropanoate; CTK2H7431; NCGC00094437-01; 2-Amino-3-indolylpropanoic acid; TRP NH3+ COOH; ZX-AT022248; L-Tryptophan, United States Pharmacopeia (USP) Reference Standard; (S)-2-Amino-3-(3-indolyl)propionic acid; Indole-3-alanine; HMS3263N07; L-TRYPTOPHAN SIGMA GRADE; alpha-Amino-3-Indoleproprionic Acid; Tryptophan (USP/INN); L-Tryptophan (9CI); D05EJG; A7403; (L)-TRYPTOPHAN; KSC377I3D; 1H-Indole-3-alanine; Alanine, 3-indol-3-yl-; NCGC00254424-01; MCULE-8004234494; (S)-1H-Indole-3-alanine; AKOS015854052; CHEBI:16828; LP01183; Lopac-T-0254; CHEMBL54976; GTPL717; 3-Indol-3-ylalanine; F0001-2364;HSDB 4142; MT1; T0254_SIAL; tryptophan (H-3); 1-beta-3-Indolylalanine; NChemBio.2007.20-comp7; IDI1_000457; EU-0101183; Lopac0_001183; 80206-30-0; (2S)-2-amino-3-(1H-indol-3-yl)propionic acid; Sedanoct; Propionic acid, 2-amino-3-indol-3-yl-; NINDS_000457; BB_NC-1911; Pacitron; 2-Amino-3-indolylpropanoic acid; (S)-2-Amino-3-(3-indolyl)propionic acid; Indole-3-alanine; (S)-alpha-Amino-beta-(3-indolyl)-propionic acid; Tryptophan (USP/INN); L-Tryptophan (9CI); (L)-TRYPTOPHAN; Alanine, 3-indol-3-yl-; AIDS011920; CHEBI:16828; AIDS-011920; Lopac-T-0254; 3-Indol-3-ylalanine; C00078; Tryptan; TRP-01; (S)-Tryptophan 1H-Indole-3-alanine, (S)-; (S)-Tryptophan; 1H-Indole-3-alanine (VAN); AI3-18478; LS-185087; L-alpha-Aminoindole-3-propionic acid; SMR000326686; L-Alanine, 3-(1H-indol-3-yl)-; L-Trp; L-alpha-Amino-3-indolepropionic acid; Tryptophane; 1H-Indole-3-propanoic acid, alpha-amino-, (S)-; (S)-alpha-Amino-1H-indole-3-propanoic acid; alpha-Amino-3-indolepropionic acid, L-; L-Tryptofan; 1H-Indole-3-alanine, (S)-; 1beta-3-Indolylalanine; (-)-Tryptophan; MLS001056750; alpha'-Amino-3-indolepropionic acid; Indoe-3-propionic acid, alpha-amino-; LTR; (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; Indole-3-propionic acid, alpha-amino-; (S)-alpha-Aminoindole-3-propionic acid; Alanine, 3-indol-3-yl; T8941_SIGMA; (S)-alpha-Amino-beta-indolepropionic acid; NSC 13119; CCRIS 617; L-Tryptophane; Tryptophane [French]; Tryptophanum [Latin]; 93659_FLUKA; D00020; Ardeytropin; DivK1c_000457; EINECS 200-795-6; EH 121; Tryptophan, L- (8CI); Triptofano [Spanish]; L-beta-3-Indolylalanine; KBio1_000457; L-(-)-tryptophan; Kalma; NCGC00015994-01; Lyphan; Tryptophan (VAN); h-Trp-oh; Tryptophan [USAN:INN]; L-Tryptophan (JP15); T4196_SIAL Pharmakon1600-01500600; triptofano; UNII-N7U7BXP2OI component QIVBCDIJIAJPQS-VIFPVBQESA-N; 2-Amino-3-(lH-indol-3-yl)-propanoic acid; DTXSID5021419; L-Ttp; Tryptophanum; AM82273; C00078; Tryptan; TRP-01; AJ-10635; L-Tryptophan, BioUltra, >=99.5% (NT); KB-53414; (S)-Tryptophan 1H-Indole-3-alanine, (S)-; (S)-Tryptophan; (S)-a-Aminoindole-3-propionic acid; 2a4m; L-Tryptophan, reagent grade, >=98% (HPLC); 1H-Indole-3-alanine (VAN); AI3-18478; trytophan; LS-185087; BIT0720; CS-W020011; L-alpha-Aminoindole-3-propionic acid; AC1L1M8F; QIVBCDIJIAJPQS-VIFPVBQESA-N; SMR000326686; D-Trp-OH; Tryptophan (L-Tryptophan); L-Alanine, 3-(1H-indol-3-yl)-; CAS-73-22-3; Tox21_501183; L-Trp; OR28930; T 0254; ST2419449; alpha-Amino-beta-(3-indolyl)-propionic acid; UNII-X9U7434L7A component QIVBCDIJIAJPQS-VIFPVBQESA-N; ZX-AFC000605; DSSTox_GSID_21419; Tryptophane; 73T223; 1H-Indole-3-propanoic acid, alpha-amino-, (S)-; (S)-alpha-Amino-1H-indole-3-propanoic acid; alpha-Amino-3-indolepropionic acid, L-; Epitope ID:136043; AX8034769; DSSTox_CID_1419; L-Tryptofan; S(-)-1-alpha-Aminoindole-3-propionic acid; 1H-Indole-3-alanine, (S)-; 1beta-3-Indolylalanine; PubChem10984; (-)-Tryptophan; BDBM21974; MLS001056750; (s)-alpha-amino-beta-indolepropionate; CCG-205257; alpha'-Amino-3-indolepropionic acid; NCGC00094437-02; Indoe-3-propionic acid, alpha-amino-; NSC757373; C-48302; (S)-a-Amino-b-indolepropionic acid; (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; Indole-3-propionic acid, alpha-amino-; (S)-alpha-Aminoindole-3-propionic acid; L(-)-Tryptophan; DSSTox_RID_76152; DB-029986; SR-01000075590; BP-13286; l-b-3-Indolylalanine; Alanine, 3-indol-3-yl; (S)-(-)-2-Amino-3-(3-indolyl)propionic Acid; ACT08662; DB00150; NCGC00258798-01; LS-1622; (S)-a-Amino-1H-indole-3-propanoic acid; (S)-alpha-Amino-beta-indolepropionic acid; NCGC00094437-04; BR-50074; AB00373874_05; RTC-066620; bmse000050; NSC 13119; L-Tryptophan, PharmaGrade, Ajinomoto, EP, JP, USP, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production, suitable for cell culture; alpha-amino-beta-(3-indolyl)-pr opionic acid; GM0674; CCRIS 617; L-Tryptophane; Tryptophanum [Latin]; Tryptophane [French]; L-Tryptophan, certified reference material, TraceCERT(R); Tryptophan (H-3); (S)-a-Amino-1H-indole-3-propanoate; Tox21_300359; trp; AK-50074; Alti-Tryptophan; ANW-36308; Ardeytropin; D00020; DivK1c_000457; L-Tryptophan (JP17); (S)-(-)-Tryptopha n; NCGC00094437-03; L-Trp-OH; EINECS 200-795-6; (S)-2-Amino-3-(3-indolyl)propionic acid; L-; EH 121; EC 200-795-6; Optimax; L-Trytophane; HMS501G19; Tryptophan, L- (8CI); NSC-757373; M02943; (S)-(-)-Tryptophan; HTS001390; RP26086; Triptofano [Spanish]; (S)-alpha-amino-beta-(3-indolyl)-propionic acid; L-beta-3-Indolylalanine; A-Amino-3-indolepropionic acid; 151A3008-4CFE-40C9-AC0B-467EF0CB50EA; MolPort-001-794-499; KBio1_000457; BG00603884; 73-22-3; Kalma; NCGC00015994-01; AN-8742; 3-(1H-indol-3-yl)-L-Alanine; FT-0627592; Lyphan; Tryptophan (VAN); trofan; L-Tryptophan premix; L-Tryptophan, Vetec(TM), 98.5%; AC-17050; L-alpha-amino-3-indolepropionic acid; h-Trp-oh; 1qaw; SCHEMBL7328; Tryptophan [USAN:INN]; L-(-)-Tryptophan; L-Tryptophan (JP15); phosphatidylserine; (S)-alpha-Amino-1H-indole-3-propanoate; l-a-Aminoindole-3-propionic acid; D-2-Amino-3-indolepropionic acid; Z1245635763; (S)-a-Aminoindole-3-propionate; tryptacin |
C11H12N2O2;C3H8NO6P |
204.22 g/mol;185.07g/mol |
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N |
|
TCMBANKIN058519 |
(-)-epigallocatechin-3-gallate; (-)-epigallocatechin 3-o-gallate;epigallocatechin gallate; galloyl-l-epigallocatechol; epigallocatechin 3-gallate; (-)-epigallocatechin gallate; |
KBio2_000796; SpecPlus_000277; 50299_FLUKA; Spectrum3_000244; KBioGR_002002; 3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] ester; MLS000758300; DivK1c_006373; (−)-Epigallocatechin gallate; EGCG; SPBio_000035; (−)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate; KBioSS_000796; Epigallocatechin gallate; Spectrum4_001541; (-)-epigallocatechin 3-gallate; Tea catechin; AIDS000674; KBio2_005932; 3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromanyl] ester; KBio1_001317; 989-51-5; AIDS-000674; (2R,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1[2H]-benzopyran-3,5,7-triol-3-(3,4,5-trihydroxybenzoate); KBio2_003364; Galloyl-L-epigallocatechol; SDCCGMLS-0066550.P001; (-)-Epigallocatechol gallate; ACon1_001054; Spectrum5_000102; Green tea extract; MEGxp0_001166; C09731; (-)-Epigallocatechin-3-o-gallate; Epigallocatechin 3-gallate; (-)-Epigallocatechin gallate; CCRIS 3729; Teavigo; [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate; Spectrum2_000168; Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester; (−)-cis-3,3′,4′,5,5′,7-Hexahydroxy-flavane-3-gallate; CHEBI:4806; (-)-epigallocatechin-3-gallate ; (-)-Epigallocatechin gallate (85% (-)-epigallocatechin gallate, 10% (-)-epigallocatechin, 5% (-)- epicatechin gallate); Catechin deriv.; SMR000449288; SPECTRUM210239; E4143_SIAL; (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate; Spectrum_000316; (-)-EGCG; KBio3_001128; BSPBio_001628; Epigallocatechol, 3-gallate, (-)-; Epigallocatechin-3-gallate; E4268_SIAL; epigallocatechin gallate ; epigallocatechin-3-gallate; (-)epigallocatechin-3-gallate ; EGCG; 989E515; [5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 2,3,4-trihydroxybenzoate; HMS2051K21; CS-1258; AC1L22IG; AK165605; Green tea polyphenols, Anagen; (-)-Epigallocatechin-3-O-gallate, United States Pharmacopeia (USP) Reference Standard; AKOS015918182; CAS-989-51-5; Epigallocatechin gallate, primary pharmaceutical reference standard; W-5069; (-)-cis-3,3',4',5,5',7-Hexahydroxy-flavane-3-gallate; (-)-Epigallocatechin gallate, analytical standard; Q-100914; DSSTox_RID_78830; AN-15867; DSSTox_GSID_29889; (-)-Epigallocatechol gallate; FT-0604392; NCGC00164319-04; Green tea extract; MEGxp0_001166; (-)-Epigallocatechin-3-o-gallate; Epigallocatechin 3-gallate; N1874; CHEBI:4806; (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate; BG00814299; HMS3649E08; D0E9DB; Epigallocatechol, 3-gallate, (-)-; (-)-EpigallocatechinGallateHydrate; Epigallocatechin-3-gallate; AB0014381; BQM438CTEL; NC00078; ST51055716; Epigallocatechin gallate, Pharmaceutical Secondary Standard; Certified Reference Material; SpecPlus_000277; Spectrum3_000244; (2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl-3,4,5-trihydroxybenzoate; MLS000758300; (-)-Epigallocatechin gallate (EGCG); CCG-38378; Gallic acid, 3-ester with epigallocatechol, (-)-; SR-01000946601-1; NCGC00164319-01; (-)-cis-3,4-Dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1(2H)-benzopyran-3-yl Gallate; NCGC00164319-06; DSSTox_CID_567; MCULE-3341525983; Epigallocatechin monogallate, B; Tox21_303457; SAM001247031; 4awm; K791; 989-51-5; SR-01000946601; MFCD00075940; EGCG analogs; Galloyl-L-epigallocatechol; NCGC00164319-03; (-)-Epigallocatechin gallate, >=80% (HPLC), from green tea; Spectrum5_000102; CPD000449288; (-)-Epigallocatechin gallate; LMPK12030005; E0694; Teavigo; Epigallocatechin gallate analogs, Anagen; Epigallocatechin-3-monogallate; ACN-035233; Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester; Sunphenon; Epigallocatechin gallate(EGCG); s2250; PF-EGCg 90; 3,4-Dihydro-5,7-dihydroxy-2R-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3R-yl-3,4,5-trihydroxybenzoate; 3,4,5-Trihydroxybenzoic acid (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester; MLS001424000; (-)-EGCG; ZINC3870412; KBio2_000796; EGCG cpd; KBioGR_002002; Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2R-cis)-; EGCG, Anagen; NCGC00257243-01; Tox21_201468; L-Epigallocatechin gallate; cid_65064; SPBio_000035; BG01747388; Epigallocatechin gallate; KBioSS_000796; Spectrum4_001541; (-)-epigallocatechin 3-gallate; DB12116; EPIGALOCATECHIN GALLATE; ANTIOXIDANT MODEL (TRAMP) -EPIGALLOCATECHIN GALLATE; KBio2_005932; I14-7747; D0U2BH; MCULE-7760530136; 2kdh; Epigallocatechin gallate, Anagen; AOB2839; SDCCGMLS-0066550.P001; 863-65-0; FR-109; ST097428; ACon1_001054; LS-2197; CCRIS 3729; [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate; Epigallocate; GTPL7002; BDBM50070942; C22H18O11; GTPs,Anagen; SCHEMBL35258; (2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate; MolPort-001-741-358; DivK1c_006373; KB-206444; SR-01000759328; Teavigo;; EGCG; (-)-EPIGALLOCATECHIN GALLATE (GREEN TEA EXTRACT); HY-13653; (-)-Epigallocatechin gallate, >=95%; NCGC00259019-01; Tea catechin; DS-9030; SR-01000759328-6; SR-01000759328-5; KDH; AC1Q5X0Z; KBio1_001317; (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxyb enzoate; (2R,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1[2H]-benzopyran-3,5,7-triol-3-(3,4,5-trihydroxybenzoate); NVP-XAA 723; KBio2_003364; EBD2138593; FT-0082796; NCGC00164319-02; C09731; (-)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate; UNII-BQM438CTEL; DTXSID1029889; WMBWREPUVVBILR-WIYYLYMNSA-N; [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate; (-)-Epigallocatehin gallate; Spectrum2_000168; (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate; (-)-Epigallocatechin gallate (85% (-)-epigallocatechin gallate, 10% (-)-epigallocatechin, 5% (-)- epicatechin gallate); Catechin deriv.; SMR000449288; (-)-Epigallocatechin gallat; SPECTRUM210239; Epigallocic acid; Epigallocatcchin Gallate; KS-0000132O; BP-30205; CHEMBL297453; SC-47284; Spectrum_000316; 3oob; (-)-Epigallocatechin gallate, >=97.0% (HPLC); KBio3_001128; BSPBio_001628; epigallo-catechin gallate |
C22H18O11 |
458.4g/mol |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
|
TCMBANKIN058553 |
Tropyliden |
EINECS 208-866-3; 1,3,5-CYCLOHEPTATRIENE; Tropiliden; Cycloheptatriene; 544-25-2; Cycloheptatriene [UN2603] [Flammable liquid]; C99205_ALDRICH; Cycloheptatrien; CHEBI:37519; 28858_FLUKA; Tropilidene; 1H-[7]annulene; cyclohepta-1,2,4,6-tetraene; InChI=1/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H; cyclohepta-1,3,5-triene; UN2603; Zykloheptatrien; Tropilidine; ACMC-1ALO0; LS-56137; FT-0606497; UN 2603; EINECS 208-866-3; 1,3,5-CYCLOHEPTATRIENE; AN-45795; TC-020332; W-109559; Cycloheptatriene [UN2603] [Flammable liquid]; Tropyliden; ANW-32075; AJ-33013; ZINC2034827; AK115870; SBB061185; ST51047237; Tropiliden; Cycloheptatriene; AKOS000121113; 544-25-2; ST24030275; KB-49191; cyclohepta-2,4,6-trien-1-yl; MFCD00004146; CJ-31936; STL373480; BBL027452; MCULE-6950733657; Cycloheptatriene [UN2603] [Flammable liquid]; AC1L1WET; 48854-EP2272537A2; 7866AB; 48854-EP2311841A1; Cycloheptatrien; Cycloheptatriene, 95%; CHEBI:37519; 1,3,5-Cycioheptatriene; A830174; Tropilidene; DTXSID5073909; 1H-[7]annulene; I14-8226; Cyclohepta-1,3,5-triene; BB_SC-6674; DB-052570; InChI=1/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H; CTK1C4731; Tropilidin; UN2603; Zykloheptatrien; (1,3-Cycloheptadiene-5,6-diyl)radical; Tropilidine; BG00599827; CHVJITGCYZJHLR-UHFFFAOYSA-N; MolPort-001-787-047 |
C7H8 |
92.14 g/mol |
C1C=CC=CC=C1 |
|
TCMBANKIN058581 |
GBL |
1,4-Lactone; 2-tetrahydrofuranone; Gamma-Lactone 4-hydroxy-butyric acid; CHEBI:42639; B103608_ALDRICH; Butyric acid lactone; gamma-Hydroxybutyric acid cyclic ester; 4-Hydroxybutanoic acid, .gamma.-lactone; oxolan-2-one; 1,4-Butyrolactone; .gamma.-6480; .gamma.-Hydroxybutyric acid lactone; gamma-Hydroxybutyric acid lactone; Butanoic acid, 4-hydroxy-, .gamma.-lactone; ZINC04658567; Butyryl lactone; gamma-Butyrolactone (natural); gamma-6480; 4-Deoxytetronic acid; NSC4592; 2-Oxolanone; .gamma.-Butyrolactone; HSDB 4290; .gamma.-BL; 187997-16-6; NCI-C55878; EINECS 202-509-5; 4-Hydroxybutyric acid, .gamma.-lactone; 4-Butanolide; 4-Butyrolactone; AI3-28121; gamma-BL; tetrahydrofuran-2-one; Tetrahydro-2-furanone; NSC 4592; CCRIS 2924; EPA Pesticide Chemical Code 122303; Caswell No. 132B; FEMA No. 3291; Gamma-Lactone 4-hydroxybutanoic acid; Butyrylactone; 4-Hydroxybutanoic acid lactone; C-1070; 2(3H)-Furanone, dihydro-; C01770; 1,2-Butanolide; 3-Hydroxybutyric acid lactone; 4-Hydroxybutyric acid lactone; No Go; Dihydro-2-furanone; 1,4-Butanolide; .gamma.-Hydroxybutyric acid cyclic ester; Gamma-Butanolactone; gamma-Hydroxybutyrolactone; InChI=1/C4H6O2/c5-4-2-1-3-6-4/h1-3H; Gamma-Lactone 4-hydroxybutyric acid; .alpha.-Butyrolactone; c0033; Dihyro-2-furanone; .gamma.-Hydroxybutyrolactone; W329118_ALDRICH; BLO; Butyric acid, 4-hydroxy-, gamma-lactone; Agrisynth BLO; Butanoic acid, 4-hydroxy-, gamma-lactone; Gamma-Lactone 4-hydroxy-butanoic acid; dihydrofuran-2(3H)-one; 96-48-0; Alpha-Butyrolactone; Dihydro-2(3H)-furanone; BLON; Butyrolactone; WLN: T5OVTJ; Butyric acid, 4-hydroxy-, .gamma.-lactone; 2-Oxotetrahydrofuran; LS-2010; BUTANOIC ACID,4-HYDROXY,LACTONE GAMMA-BUTYROLACTONE; gamma-Butyrolactone; 1-Oxacyclopentane-2-one; γ- Butyrolactone; Butyrolactone |
C4H6O2 |
86.09 |
C1CC(=O)OC1 |
|
TCMBANKIN058586 |
Prolinum |
(-)-Proline (S)-2-Carboxypyrrolidine; 18875-45-1; (2S)-2-pyrrolidinecarboxylic acid; P5607_SIGMA; L-Proline-15N; AIDS018625; 4305-67-3; L-Proline, labeled with carbon-14; L-Proline (JAN); L-(-)-Proline; CHEBI:17203; 37159-97-0; Carboxypyrrolidine; P0380_SIAL; (-)-(S)-Proline; Proline (USP); D00035; NCGC00014017; W331902_ALDRICH; (2S)-pyrrolidine-2-carboxylic acid; (S)-pyrrolidine-2-carboxylic acid; L-Prolin; NSC-97923; P8865_SIAL; nchembio816-comp9; AIDS-018625; L-(2,3-3H)Proline; C00148; 4607-28-7; 81710_FLUKA; (2S)-proline; 608998_ALDRICH; 81709_FLUKA; proline |
C5H9NO2 |
115.13 g/mol |
C1CC(NC1)C(=O)O |
|
TCMBANKIN058588 |
coixan C |
coixan A |
C17H18FN3O3 |
|
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O |
|
TCMBANKIN058612 |
Zyklohexen |
CHEBI:36404; 7493-04-1; 110-83-8; 3,4,5,6-Tetrahydrobenzene; 83224-EP2274983A1; 83224-EP2270114A1; 195642-EP2277872A1; 91500-EP2295429A1; 195642-EP2272972A1; Cyclohexene-3-ylradical; cyclohex-2-enyl; 91500-EP2284157A1; 195642-EP2272973A1; Cyclohexene; 83224-EP2292596A2; 1-cyclohex-2-enyl; 2-cyclohexenyl; 91500-EP2305668A1; 83224-EP2305655A2; cyclohexene; InChI=1/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H; Cyclohexene; Tetrahydrobenzene; Cyclohexene [UN2256] [Flammable liquid]; 3-Cyclohexenyl radical; Benzenetetrahydride; WLN: L6UTJ; 1,2,3,4-Tetrahydrobenzene; 125431_ALDRICH; UN2256; Benzene, tetrahydro-; 4-Cyclohexenyl radical; 33004-06-7; 1-cyclohexene; Cykloheksen [Polish]; EINECS 203-807-8; NSC 24835; 4-05-00-00218 (Beilstein Handbook Reference); AI3-03146; Hexanaphthylene; 15650-80-3; Benzene tetrahydride; Cyclohex-1-ene; BRN 0906737; NSC24835; Cykloheksen; HSDB 1624; 44028_FLUKA |
C6H10 |
82.14 g/mol |
C1CCC=CC1 |
|
TCMBANKIN058615 |
Cyclohexane |
cyclohexane; 154741_SIAL; Benzenehexahydride; Hexanaphthene; Benzene, hexahydro-; Cyclohexane, reaction product with oxygen, nonvolatile residue; 33117_RIEDEL; 68411-76-7; HSDB 60; Cyclohexane, oxidized, non-volatile residue; 227048_ALDRICH; Hexamethylene; Cicloesano [Italian]; Cykloheksan [Polish]; AI3-08222; 676861_ALDRICH; 34496_RIEDEL; UN1145; Cykloheksan; Cyclohexaan [Dutch]; Caswell No. 269; InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H; Cyclohexaan; ghl.PD_Mitscher_leg0.242; RCRA waste number U056; EPA Pesticide Chemical Code 025901; NSC 406835; EINECS 203-806-2; 28935_FLUKA; RCRA waste no. U056; Poly(cyclohexane); NSC406835; Cicloesano; EINECS 270-147-5; Cyclohexane; 15329_RIEDEL; Polycyclohexane; 28920_FLUKA; 110-82-7; Cyclohexan [German]; hexahydro-Benzene; 25012-93-5; WLN: L6TJ; 650455_ALDRICH; LS-516; 28918_FLUKA; Zyklohexan; c0941; CCRIS 3928; Cyclohexan; Hexahydrobenzene; 34855_SIAL; Cyclohexane [UN1145] [Flammable liquid]; 179191_SIAL; C11249; 442531_SUPELCO; Cyclohexane, homopolymer; CHEBI:29005; CHX |
C6H12 |
84.16 g/mol |
C1CCCCC1 |
|
TCMBANKIN058628 |
PIP |
643602_ALDRICH; LS-3053; CHEBI:18049; EINECS 203-813-0; NCIOpen2_007828; CCRIS 967; W290807_ALDRICH; Hexazane; Piperidine [UN2401] [Corrosive]; InChI=1/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H; Piperidin [German]; Hexahydropyridine; FEMA No. 2908; 411027_ALDRICH; Perhydropyridine; AI3-24114; 80640_FLUKA; Pentamethylenimine; Pyridine, hexahydro-; Cyclopentimine; Piperidine solution; Piperidine; UN2401; 571261_SIAL; 80645_FLUKA; C01746; Pentamethyleneimine; Cypentil; Azacyclohexane; ST5213814; 33537_RIEDEL; HSDB 114; Piperidine on Rasta Resin; 104094_SIAL; 110-89-4; NCIMech_000312;BG00956967; BCP0726000204; AN-3762; DTXSID30705359; (7bR,10aR)-2,3,4,7B,8,9,10,10a-Octahydro-1H-cyclopenta[b][1,4]diazepino[6,7,1-hi]indolehydrochloride; CO-124; AX8163273; (11R,15R)-7,10-DIAZATETRACYCLO[8.5.1.0?,(1)?.0(1)(1),(1)?]HEXADECA-1(16),2,4-TRIENE HYDROCHLORIDE; WAY163909-HCl; (7BR,10AR)-2,3,4,7B,8,9,10,10A-OCTAHYDRO-1H-CYCLOPENTA[B][1,4]DIAZEPINO[6,7,1-HI]INDOLE HYDROCHLORIDE; AKOS016002206; 428868-35-3; PS-J-141; AK-38565; (7bR,10aR)-1,2,3,4,8,9,10,10a-Octahydro-7bH-cyclopenta[b][1,4]diazepino[6,7,1-hi]indole--hydrogen chloride (1/1); (11R,15R)-7,10-DIAZATETRACYCLO[8.5.1.0?,(1)?.0(1)(1),(1)?]HEXADECA-1,3,5(16)-TRIENE HYDROCHLORIDE; KB-277464; (7bR,10aR)-1,2,3,4,8,9,10,10a-Octahydro-7bH-cyclopenta[b][1,4]diazepino[6,7,1-hi]indole hydrochloride; (7BR,10AR)-2,3,4,7B,8,9,10,10A-Octahydro-1H-cyclopenta[b][1,4diazepino][6,7,1-HI]indole hydrochloride;piperidine |
C5H11N |
85.15 g/mol |
C1CCNCC1 |
|
TCMBANKIN058674 |
3-methyl-3-butenone;Methyl butenone |
3-Methyl-3-buten-2-on; Isopropenyl methyl ketone; NSC 24150; BRN 1071241; CCRIS 5317; UN1246; Methyl isopropenyl ketone; Ketone, methyl isopropenyl; 2-Methyl-1-butene-3-one; NSC24150; Methyl isopropenyl ketone, inhibited [UN1246] [Flammable liquid]; InChI=1/C5H8O/c1-4(2)5(3)6/h1H2,2-3H; WLN: 1VY1&U1; 2-Methyl-1-buten-3-one; 4-01-00-03462 (Beilstein Handbook Reference); 54789-11-6; HSDB 1164; 3-Methylbut-3-en-2-one; 3-Methyl-3-buten-2-one; 3-Methyl-3-butene-2-one; 3-Methyl-3-butenone; Propen-2-yl methyl ketone; 3-Buten-2-one, 3-methyl-; 3-Butene-2-one, 3-methyl; 3-BUTEN,2-ONE,3-METHYL METHYL,ISOPROPENYL,KETONE; 3-Methyl-3-buten-2-on [German]; EINECS 212-405-1; 814-78-8; 3-Methylene-2-butanone; 3-METHYL-3-BUTEN-2-ONE DIMER |
C5H8O |
84.12 g/mol |
CC(=C)C(=O)C |
|
TCMBANKIN058729 |
Mesityloxid |
Oxyde de mesityle; Oxyde de mesityle [French]; Acetone, isopropylidene-; Ossido di mesitile [Italian]; Methyl 2,2-dimethylvinyl ketone; 3-Isohexen-2-one; UN1229; Methyl isobutenyl ketone; InChI=1/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H; Mesityloxid [German]; 3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE; 2-Methyl-2-penten-4-one; 4-Methyl-3-pentene-2-one; 2-Methyl-4-oxo-2-pentene; ZINC01670856; 4-01-00-03471 (Beilstein Handbook Reference); 4-Methyl-3-penten-2-one; Isobutenyl methyl ketone; Isopropylideneacetone; NSC38717; EINECS 205-502-5; Mesityloxyde [Dutch]; 4-Methylpent-3-en-2-one; Mesityl oxide; AI3-07702; EPA Pesticide Chemical Code 052401; FEMA No. 3368; 2-Methyl-2-pentenone-4; FEMA Number 3368; Mesityloxyde; Ossido di mesitile; ST5214461; 4-Methyl-3-penten-2-on; 281832_ALDRICH; 4-Metil-3-penten-2-one [Italian]; BRN 1361550; 4-Metil-3-penten-2-one; Mesityl oxide [UN1229] [Flammable liquid]; WLN: 1Y1 & U1V1; 141-79-7; 4-Methyl-3-penten-2-on [Dutch, German]; Caswell No. 547; W336807_ALDRICH; 2,2-Dimethylvinyl methyl ketone; 63940_FLUKA; 3-Penten-2-one, 4-methyl-; HSDB 1195; Isopropylidene acetone; Methyl 2-methyl-1-propenyl ketone; NSC 38717;TR-005373; CHEBI:89993; MCULE-4922478422; CJ-07569; SC-47106; InChI=1/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H; Mesityloxid [German]; CTK3J4711; 4-Methyl-3-penten-2-one, analytical reference material; KB-78313; Isobutenyl methyl ketone; 2-Methyl-4-oxo-2-pentene; NSC38717; RP18648; 4-methyl-pent-3-en-2-one; NCGC00259629-01; Mesityloxyde [Dutch]; Mesityl oxide, 90%, remainder 4-methyl-4-penten-2-one; FEMA No. 3368; MolPort-000-872-030; BG00599844; LS-2950; BRN 1361550; Caswell No. 547; Tox21_202080; HSDB 1195; Isopropylidene acetone; EC 205-502-5; MESITYL OXIDE; Oxyde de mesityle; A807813; Ossido di mesitile [Italian]; AC1L1RU7; KS-00000WGV; 7471AF; 3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE; M1340; 1-Methylpent-2-en-4-one; NCGC00257514-01; 4-Methyl-3-penten-2-one; KSC494O1D; S14-1428; 3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE; 2-methylpent-2-en-4-one; 3-Penten-2-one,4-methyl-; AN-43889; M0069; AKOS000118892; FEMA 3368; TRA0020647; 4-Methyl-3-penten-2-on; 4-Metil-3-penten-2-one [Italian]; DSSTox_RID_78697; Mesityloxid(german); SHOJXDKTYKFBRD-UHFFFAOYSA-N; 4-Methyl-3-penten-2-on [Dutch, German]; RTR-005373; Methyl 2-methyl-1-propenyl ketone; 3-Penten-2-one, 4-methyl-; 4-Methyl-3-penten-2-on(DUTCH, GERMAN); Cilastatin Impurity D (Mesityl Oxide); 4-Methyl-3-penten-2-one (mesityl oxide); LMFA12000030; 4-Methyl-3-penten-2-one, 90%; Oxyde de mesityle [French]; Methyl 2,2-dimethylvinyl ketone; Mesityloxid; Methyl isobutenyl ketone; UN1229; BB_NC-2260; Isopropylideneacetone; CHEMBL3185916; ACMC-1BOEP; (CH3)2C=CHC(=O)CH3; Mesityl oxide, technical grade, 90%; DTXSID1029170; 4-Methyl-3-penten-2-one, 9CI; MFCD00008900; 2-Methyl-2-pentenone-4; Ossido di mesitile; Mesityl oxide, suitable for neutral marker for measuring electroosmotic flow (EOF), ~98%; Mesityl Oxide, Pharmaceutical Secondary Standard; Certified Reference Material; UNII-77LAC84669; NCGC00249161-01; Q-201356; Mesityl oxide, mixture of alpha- and beta-isomers; Mesityl oxide [UN1229] [Flammable liquid]; STL146350; FT-0628235; NSC 38717; AC1Q1JB3; Mesityl oxide [UN1229] [Flammable liquid]; Acetone, isopropylidene-; Mesityl oxide, European Pharmacopoeia (EP) Reference Standard; 77LAC84669; 3-Isohexen-2-one; 2-Methyl-2-penten-4-one; 4-Methyl-3-pentene-2-one; Jsp002461; EINECS 205-502-5; 4-Methylpent-3-en-2-one; Tox21_303606; SBB040870; AI3-07702; Mesityloxyde; EPA Pesticide Chemical Code 052401; FEMA Number 3368; Isopropylidene-Acetone; CAS-141-79-7; CJ-32144; DSSTox_CID_9170; 4-Metil-3-penten-2-one; UN 1229; BBL027732; WLN: 1Y1 & U1V1; NSC-38717; 141-79-7; ANW-41508; 2,2-Dimethylvinyl methyl ketone; DSSTox_GSID_29170; ZINC100019800; Mesityl oxide, technical, 90%, remainder 4-methyl-4-penten-2-one 100ml |
C6H10O |
98.14 |
CC(=CC(=O)C)C |
|
TCMBANKIN058793 |
osthol |
Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-; NCGC00095694-03; AB0021820; BB_NC-1338; 7-methoxy-8-(3-methyl-2-butenyl)coumarin; ZB000125; 7-Methoxy-8-(3-methyl-2-butenyl)-coumarin; Osthole; EBD33224; MEGxp0_000155; s2337; CHEBI:69832; 4CN-0704; 7-Methoxy-8-(3-methyl-2-butenyl)-2H-chromen-2-one #; HMS2267O21; BG00609801; LS-55250; Ostol; NCGC00095694-02; MFCD00076049; AIDS-221947; 484-12-8; J10077; CO0040; ACon1_002155; Osthol; Spectrum3_001645; NSC 31868; C15H16O3; BSPBio_003369; AC-8041; BAS 00015470; Oprea1_642606; CS-2125; MolPort-000-881-851; FT-0082540; SCHEMBL50436; Cnidium Fruit Extract; NCGC00095694-01; AC1L1UR5; ZINC566; Osthole isolated from Scutellaria baicalensis; Spectrum4_001687; KBio2_007158; DTXSID20197507; Spectrum_001542; AIDS-104947; UNII-XH1TI1759C; BDBM50240512; W1256; Osthole (Osthol); A827530; BRD-K78294846-001-03-3; SMR000156202; NCGC00095694-05; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)- (9CI); SR-01000721624-4; 7-methoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one; KBioSS_002022; InChI=1/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H; CC-33366; Q-100535; Oprea1_873803; KBio2_002022; 7-METHOXY-8-(3-METHYL-2-BUTENYL)-COUMARIN; CCG-40172; I06-0435; C09280; 8-(3-Methyl-2-butenyl)herniarin; FT-0601535; ANW-50075; DS-0881; NSC31868; XH1TI1759C; ST2412572; HY-N0054; HMS3656A07; WLN: T66 BOVJ IO1 J2UY1&1; KB-250032; SDCCGMLS-0066780.P001; BBL013019; ST50909221; SPECTRUM1504165; C-14815; SpecPlus_000946; AX8007596; MLS006011425; BR-35300; AJ-07908; O0426; Spectrum2_000723; 7-Methoxy-8-isopentenylcoumarin; CTK7A8592; DivK1c_007042; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-; Ostole; AK-35300; N1825; ZINC00000566; KS-00000N3A; SPBio_000646; Osthole, European Pharmacopoeia (EP) Reference Standard; 484O128; 1440642-68-1; 7-methoxy-8-(3-methylbut-2-enyl)-2-chromenone; STK396321; 7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one; MBRLOUHOWLUMFF-UHFFFAOYSA-N; SR-01000721624; RP28651; 7-methoxy-8-(3-methylbut-2-enyl)-1-benzopyran-2-one; Osthole, primary pharmaceutical reference standard; CHEMBL52229; MLS001048988; 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one; TR-017689; NSC-31868; RTR-017689; Osthole, analytical standard; S-3211; Spectrum5_000334; MLS000574904; AKOS000277663; 7-methoxy-8-(3-methylbut-2-enyl)coumarin; AIDS104947; 7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; CJ-00015; KBio2_004590; AIDS221947; KBioGR_001954; osthol ; KBio1_001986; MCULE-5691054147; KBio3_002589; AN-8395; Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-; NCGC00095694-03; AB0021820; BB_NC-1338; 7-methoxy-8-(3-methyl-2-butenyl)coumarin; ZB000125; Osthole; EBD33224; MEGxp0_000155; s2337; CHEBI:69832; 4CN-0704; 7-Methoxy-8-(3-methyl-2-butenyl)-2H-chromen-2-one #; HMS2267O21; BG00609801; LS-55250; Ostol; NCGC00095694-02; MFCD00076049; 484-12-8; J10077; CO0040; ACon1_002155; Osthol; Spectrum3_001645; NSC 31868; C15H16O3; BSPBio_003369; AC-8041; BAS 00015470; Oprea1_642606; CS-2125; MolPort-000-881-851; FT-0082540; SCHEMBL50436; Cnidium Fruit Extract; NCGC00095694-01; AC1L1UR5; ZINC566; osthol; Spectrum4_001687; KBio2_007158; DTXSID20197507; Spectrum_001542; UNII-XH1TI1759C; BDBM50240512; W1256; Osthole (Osthol); A827530; BRD-K78294846-001-03-3; SMR000156202; NCGC00095694-05; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)- (9CI); SR-01000721624-4; 7-methoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one; KBioSS_002022; InChI=1/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H; CC-33366; Q-100535; Oprea1_873803; osthole ; KBio2_002022; 7-METHOXY-8-(3-METHYL-2-BUTENYL)-COUMARIN; CCG-40172; I06-0435; 7-methoxy-8-[3-methylpent-2-enyl]coumarin; C09280; 8-(3-Methyl-2-butenyl)herniarin; FT-0601535; ANW-50075; DS-0881; NSC31868; XH1TI1759C; ST2412572; HY-N0054; HMS3656A07; WLN: T66 BOVJ IO1 J2UY1&1; KB-250032; SDCCGMLS-0066780.P001; BBL013019; ST50909221; SPECTRUM1504165; C-14815; SpecPlus_000946; AX8007596; MLS006011425; BR-35300; AJ-07908; O0426; Spectrum2_000723; 7-Methoxy-8-isopentenylcoumarin; CTK7A8592; DivK1c_007042; 7-methoxy-8-isopentenoxycoumarin; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-; Ostole; AK-35300; N1825; KS-00000N3A; SPBio_000646; Osthole, European Pharmacopoeia (EP) Reference Standard; 484O128; 1440642-68-1; STK396321; 7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one; MBRLOUHOWLUMFF-UHFFFAOYSA-N; SR-01000721624; RP28651; 7-methoxy-8-(3-methylbut-2-enyl)-1-benzopyran-2-one; Osthole, primary pharmaceutical reference standard; CHEMBL52229; MLS001048988; 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one; TR-017689; NSC-31868; RTR-017689; Osthole, analytical standard; S-3211; Spectrum5_000334; MLS000574904; AKOS000277663; 7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; CJ-00015; KBio2_004590; KBioGR_001954; KBio1_001986; MCULE-5691054147; KBio3_002589; AN-8395; ostole;osthole |
C15H16O3 |
244.28 g/mol |
CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C |
|
TCMBANKIN058902 |
3-methyl-2-buten-1-ol |
CAS-556-82-1; DTXSID2027206; CHEBI:16019; 3-METHYL-2-BUTEN-1-OL; ST24042313; Prenyl alcohol; butenol methyl; 3,3-Dimethylallyl alcohol; Prenyl alcohol; 2-Buten-1-ol, 3-methyl-; TR-019627; 3,3-Dimethylallyl alcohol, Prenol; BB_NC-2261; STL163363; NSC-158709; AC1Q1NVX; 3-Methyl-2-butenyl alcohol; AKOS005716671; J-003259; KS-00000W7D; BG00599810; 3-methyl-2 -buten-1-ol; UNII-55MY0HM445; gamma-Methylcrotyl Alcohol; AC1L1WRV; NCGC00259783-01; J-512892; RP18453; 3-methyl-2-buten-1ol; Tox21_303419; 3-Methyl-2-butenol; 4-01-00-02129 (Beilstein Handbook Reference); EC 209-141-4; MFCD00002916; PRENOL (3-METHYL-2-BUTEN-1-OL); 3-Methylbut-2-en-1-ol; AJ-24267; NCGC00249194-01; MCULE-3984123588; C01390; 3-methyl-but-2-en-1-ol; TRA0070929; ASUAYTHWZCLXAN-UHFFFAOYSA-N; 3-Methyl-2-buten-1-ol, >=98%, FG; 556-82-1; NSC 158709; Methyl-3-but-2-en-1-ol; DSSTox_CID_7206; Dimethylallyl alcohol; DSSTox_GSID_27206; LMFA05000106; ZINC897129; ACMC-1AZ43; .gamma.,.gamma.-Dimethylallyl alcohol; 2-Butenol, 3-methyl; AN-23688; AC1Q77UI; 135146-66-6; 3,3-Dimethylallyl alcohol; SC-77150; MolPort-001-793-102; CTK1H1855; 3-methylbut-2-enol; FEMA 3647; 55MY0HM445; NSC158709; ANW-32368; NE10242; I14-6190; Tox21_202234; AK-48339; FEMA No. 3647; CHEMBL3184952; 3-Methylcrotyl alcohol; DSSTox_RID_78350; LS-2909; FT-0616060; KSC271Q5L; InChI=1/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H; A830750; NCGC00257241-01; EBD5438; 2-methyl-2-buten-4-ol; M0714; KB-70950; 56M821; RTR-019627; EINECS 209-141-4; Prenol; BBL011665; 3-Methyl-2-butene-1-ol; BRN 1633479; Prenol; 3-methyl-2-buten-ol |
C5H10O |
86.13 g/mol |
CC(=CCO)C |
|
TCMBANKIN058907 |
Azeton |
ACETONE; 673781_ALDRICH; Methyl ketone; Propanon; propan-2-one; C00207; W332615_ALDRICH; Pyroacetic acid; 40308_RIEDEL; 67-64-1; EPA Pesticide Chemical Code 004101; propanone; CHEBI:15347; dimethylcetone; ST5214392; HSDB 41; 414689_ALDRICH; Acetone [UN1090] [Flammable liquid]; 323772_ALDRICH; Chevron acetone; 320110_SIAL; c0556; 154598_SIAL; EINECS 200-662-2; Aceton [German, Dutch, Polish]; Dimethylketal; 00561_FLUKA; Dimethylketon; 34850_SIAL; 2-propanone; Acetone (TN); 179973_ALDRICH; Dimethylformaldehyde; dimethylketone; WLN: 1V1; Acetone (NF); ZINC00895111; RCRA waste number U002; 24201_RIEDEL; Aceton; RCRA waste no. U002; 179124_SIAL; 34480_RIEDEL; FEMA No. 3326; UN1090; Pyroacetic ether; Ketone, dimethyl-; 270725_ALDRICH; 534064_ALDRICH; 90872_FLUKA; Ketone, dimethyl; Caswell No. 004; 32201_RIEDEL; D02311; InChI=1/C3H6O/c1-3(2)4/h1-2H; Dimethyl ketone; AI3-01238; NCGC00091179-01; Dimethyl formaldehyde; 40289_RIEDEL; W332607_ALDRICH; Ketone propane; NSC135802; NSC 135802; .beta.-Ketopropane; beta-Ketopropane; 650501_ALDRICH; CCRIS 5953; Acetone (natural); 443638_SIAL; 439126_ALDRICH;acetone |
C3H6O |
58.08 |
CC(=O)C |
|
TCMBANKIN058908 |
Butanedione |
diacetyl; 2,3-Butanedione; biacetyl; 2,3-Butadione; 2,3-diketobutane; dimethylglyoxal; WLN: 1VV1; 4-01-00-03644 (Beilstein Handbook Reference); EU-0100387; Diacetyl (natural); NSC8750; W237035_ALDRICH; 2,3-Butanedione (8CI,9CI); Butanedione; 2,3-butanedione; UN2346; SGCUT00113; InChI=1/C4H6O2/c1-3(5)4(2)6/h1-2H; Lopac-D-3634; 11038_FLUKA; CCRIS 827; EINECS 207-069-8; dimethyl diketone; ZINC01532732; 151677-70-2; to_000005; 625-34-3; Butanal, 3-oxo-; FEMA No. 2370; NCGC00015336-01; DIACETYL; Butane-2,3-dione; CHEBI:16583; NSC 8750; Butanedione [UN2346] [Flammable liquid]; LS-116; W237000_ALDRICH; 31530_FLUKA; Lopac0_000387; Butanedione [UN2346] [Flammable liquid]; BRN 0605398; 2,3-dioxobutane; butadione; 431-03-8; C00741; NCGC00090746-01; AI3-03313; 2,3-butandione; HSDB 297; Acetoacetaldehyde; B85307_ALDRICH; Dimethyl glyoxal; Glyoxal, dimethyl- |
CH3COCOCH3 |
86.09 g/mol |
CC(=O)C(=O)C |
|
TCMBANKIN058936 |
Hypnon |
1-Phenylethanone; InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H; C07113; Acetylbenzene; ZINC00896628; Ethanone, 1-phenyl-; Acetophenon; 00790_FLUKA; Ketone, methyl phenyl; WLN: 1VR; 442438_SUPELCO; Methyl phenyl ketone; Usaf ek-496; 42163_FLUKA; Ketone, methyl phenyl-; Benzoyl methide; AI3-00575; AIDS-017929; W200905_ALDRICH; FEMA Number 2009; RCRA waste number U004; FEMA No. 2009; Phenyl methyl ketone; NSC 7635; RCRA waste no. U004; NSC7635; A10701_ALDRICH; 98-86-2; CCRIS 1341; AC0; Acetophenone; ST5213401; EINECS 202-708-7; CHEBI:27632; Hypnone; 1-phenylethan-1-one; HSDB 969; Benzoylmethide; 1-Phenyl-1-ethanone; Benzene, acetyl-; c0117; AIDS017929; Acetofenon [Czech]; Acetylbenzol;1-(Phenyl-D5)-Ethanon; NSC 98542-d5; 1-[(2,3,4,5,6-(2)H?)PHENYL]ETHANONE; Acetophenone-(phenyl-d5), 99 atom % D; ACM28077647; DTXSID70466417; Acetophenone-2',3',4',5',6'-d5; Acetophenon-d5; pentadeuterophenyl methyl ketone; FT-0661057; Acetylbenzene-d5; Hypnone-d5; MFCD00064446; 1-(Phenyl-d5)ethanone; 1-(2,3,4,5,6-pentadeuteriophenyl)ethanone; Acetophenone-2/',3/',4/',5/',6/'-d5; SCHEMBL1332185; Methyl (Phenyl-d5) Ketone; DE155; J-016964; 28077-64-7; 1-(Phenyl-d5)-1-ethanone; MolPort-003-929-975; NSC 7635-d5; (Phenyl-d5) Methyl Ketone; Acetophenone-(phenyl-d5); Acetophenone-d5; Acetophenone-2 inverted exclamation marka,3 inverted exclamation marka,4 inverted exclamation marka,5 inverted exclamation marka,6 inverted exclamation marka-d5; Hypnon-d5; 1-Feniletanone-d5; Acetophenone-(phenyl-d5) 99 atom % D; 1-Phenylethanone-d5; Acetophenone-2'3'4'5'6-d5;phenyl-ethanone;acetophenone;phenylethanone;1-phenylethanone |
C8H8O |
120.15 g/mol |
CC(=O)C1=CC=CC=C1 |
|
TCMBANKIN058951 |
2-Pentanone,4-hydroxy-4-methyl- |
Diacetone-alcool [French]; 4-Hydroxy-4-methyl-pentan-2-on; Q7WP157PTD; Diacetonalcohol [Dutch]; ST51047025; 4-Hydroxy-4-methylpentanone; 2-Methyl-2-pentanol-4-one; Diacetonalkohol(german); NCGC00249012-01; J-515493; J-004939; 4474AA; HSDB 1152; Diacetone; 4-Idrossi-4-metil-pentan-2-one [Italian]; CJ-26683; WLN: QX1 & 1 & 1V1; AC1L1L91; Dimethyl acetonyl carbinol; CHEBI:55381; 4-Hydroxy-4-methyl-pentan-2-on [German, Dutch]; 123-42-2; NSC 9005; SCHEMBL28494; Tox21_201266; BG00599981; Pyranton A; 2-pentanone, 4-hydroxy-4-methyl; Acetonyldimethylcarbinol; CTK0H6771; InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H; 4-Hydroxy-4-methyl-pentan-2-on(GERMAN, DUTCH); 4-Hydroxy-2-keto-4-methylpentane; AKOS005721167; SWXVUIWOUIDPGS-UHFFFAOYSA-N; Diacetonalcool; AJ-28761; FT-0624587; Diacetonalkohol; MolPort-001-779-725; CJ-05952; Diacetonalkohol [German]; 4-Methyl-4-hydroxy-2-pentanone; NCGC00258818-01; S14-1442; KS-00000WT8; RTR-003687; Diketone alcohol; F0001-0366; BRN 1740440; 4-Hydroxy-4-methyl pentan-2-one; CCRIS 6177; LS-681; SBB009084; Jsp001572; (CH3)2C(OH)CH2C(O)CH3; DSSTox_RID_77580; DSSTox_GSID_24917; 2-Pentanone, 4-hydroxy-4-methyl-; 4-Hydroxy-4-methylpentan-2-one; 4-methyl-4-oxidanyl-pentan-2-one; AC1Q1K47; 2-Hydroxy-2-methyl-4-pentanone; Pentanone, 4-hydroxy-4-methyl-; CAS-123-42-2; ANW-61448; AK-41308; MCULE-2623560163; TR-003687; NCGC00257419-01; Diacetone alcohol; Diacetone Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material; BB_NC-2286; AN-43481; 4-Hydroxy-4-methyl-2-pentanone, analytical standard; UN 1148; BBL027463; 4-01-00-04023 (Beilstein Handbook Reference); Tyranton; 4-Idrossi-4-metil-pentan-2-one; ZINC1648359; EINECS 204-626-7; Diacetone alcohol [UN1148] [Flammable liquid]; 2-Methyl-3-pentanol-4-one; KSC176O7D; RL01069; NSC-9005; 171962-EP2281810A1; Tox21_303479; Pyraton; 4-Hydroxy-4-methyl-2-pentanone, 99%; Hydroxy-4-methyl-2-pentanone; ACMC-1BVXG; MFCD00004471; 4-hydroxy-4-methyl-pentan-2-one; UNII-Q7WP157PTD; Diacetone-alcool; CHEMBL3182048; 4-Hydroxy-4-methylpentanone-2; NSC9005; LMFA12000071; EPA Pesticide Chemical Code 033901; 4-Methyl-2-pentanon-4-ol; KB-39088; Diacetonealcool; Caswell No. 280; 4-hydroxy4-methyl-2-pentanone; STL146354; UN1148; Pyranton; A805073; EC 204-626-7; Diacetone alcohol [UN1148] [Flammable liquid]; Diacetonyl alcohol; DTXSID6024917; Diacetonalcool [Italian]; AI3-00045; 4-HYDROXY-4-METHYL-2-PENTANONE; DSSTox_CID_4917; SC-80179; Diacetonalcohol; Diacetone-alcool [French]; 2-Pentanone, 4-hydroxy-4-methyl-; Acetonyldimethylcarbinol; ZINC01648359; 4-Hydroxy-4-methyl-pentan-2-on; 4-Hydroxy-4-methylpentan-2-one; H41544_ALDRICH; InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H; 31450_FLUKA; 4-hydroxy-4-methyl-pentan-2-one; 2-Hydroxy-2-methyl-4-pentanone; 4-Hydroxy-2-keto-4-methylpentane; Diacetone-alcool; Diacetonalcohol [Dutch]; 4-Hydroxy-4-methylpentanone-2; 4-Hydroxy-4-methylpentanone; NSC9005; 2-Methyl-2-pentanol-4-one; EPA Pesticide Chemical Code 033901; 24220_RIEDEL; Diacetonalcool; Caswell No. 280; 4-Hydroxy-4-methyl-2-pentanone; UN1148; Diacetonalkohol; Pyranton; Diacetonalkohol [German]; HSDB 1152; Diacetone alcohol; Diacetonyl alcohol; Diacetone; 4-Idrossi-4-metil-pentan-2-one [Italian]; WLN: QX1 & 1 & 1V1; Diacetonalcool [Italian]; Dimethyl acetonyl carbinol; AI3-00045; 4-Hydroxy-4-methyl-pentan-2-on [German, Dutch]; Diketone alcohol; 4-01-00-04023 (Beilstein Handbook Reference); Diacetone alcohol [UN1148] [Flammable liquid]; 4-Idrossi-4-metil-pentan-2-one; EINECS 204-626-7; 123-42-2; 4-Hydroxy-4-methyl pentan-2-one; BRN 1740440; CCRIS 6177; NSC 9005; SBB009084; Diacetonalcohol; Pyranton A; Tyranton; 4-hydroxy-4-methyl-2-pentanone |
C6H12O2 |
116.16 g/mol |
CC(=O)CC(C)(C)O |
|
TCMBANKIN058958 |
LEVA |
gamma-Ketovaleric acid; .gamma.-Ketovaleric acid; 3-Acetylpropionsaeure; Levulinsaeure; InChI=1/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8; Valeric acid, 4-oxo-; 4-03-00-01560 (Beilstein Handbook Reference); NSC3716; CHEBI:45630; .beta.-Acetylpropionic acid; AIDS017682; LMFA01060006; AI3-03377; ST5213942; 3-Ketobutane-1-carboxylic acid; Laevulinic acid; 4-Ketovaleric acid; 4-Oxopentanoic acid; 4-Oxovaleric acid; WLN: QV2V1; NSC 3716; Usaf cz-1; Acidum laevulinicum; PENTANOIC ACID,4-OXO MFC5 H8 O3; 3-Acetylpropionic acid; 4-Oxopentansaeure; Pentanoic acid, 4-oxo; Propionic acid, 3-acetyl-; BRN 0506796; EINECS 204-649-2; beta-Acetylpropionic acid; 4-oxo-pentanoic acid; 123-76-2; Pentanoic acid, 4-oxo-; Laevulic acid; Acetopropionic acid; Levulinic acid; VALERIC ACID, 4-OXO-(LEVULINIC ACID); Levulic acid; Laevulinsaeure; FEMA No. 2627; AIDS-017682; levulinic acid; 4-oxopentanoic acid |
C5H8O3 |
116.12 g/mol |
CC(=O)CCC(=O)O |
|
TCMBANKIN058968 |
Tereton |
ACETIC ACID,METHYL ESTER; Devoton; FEMA Number 2676; W267619_ALDRICH; Ethyl ester of monoacetic acid; Methylacetat; 79-20-9; Methyl acetic ester; FEMA No. 2676; METHYL ACETATE; EINECS 201-185-2; ZINC01597766; Methylacetat [German]; Metile (acetato di); WLN: 1VO1; acetic acid methyl ester; CCRIS 5846; 45999_FLUKA; Acetate de methyle; Metile (acetato di) [Italian]; Methylacetaat [Dutch]; UN1231; Acetate de methyle [French]; InChI=1/C3H6O2/c1-3(4)5-2/h1-2H; 45997_FLUKA; Methylacetaat; 186325_ALDRICH; NSC 405071; 45998_FLUKA; Methylester kiseliny octove; Methyle (acetate de) [French]; HSDB 95; 296996_ALDRICH; W267600_ALDRICH; Acetic acid, methyl ester; Methyl ethanoate; Methyle (acetate de); Octan metylu; Methyl acetate [UN1231] [Flammable liquid]; NCGC00090940-01; Methyl acetate (natural); Methylester kiseliny octove [Czech]; Octan metylu [Polish]; NSC405071 |
C3H6O2 |
74.08 |
CC(=O)OC |
|
TCMBANKIN058990 |
forskolin |
coleonol |
C22H34O7 |
410.5 g/mol |
CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O |
|
TCMBANKIN059066 |
L-Milchsaeure |
L-Lactic acid; CHEBI:422; L6402_SIGMA; Propanoic acid, 2-hydroxy-, (S)-, homopolymer; nchembio867-comp9; 26811-96-1; 79-33-4; (S)-()-Lactic acid; L-()-Lactic acid; 46937_SUPELCO; (2S)-2-hydroxypropanoic acid; C00186; InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6; 27715_RIEDEL; (2S)-2-Hydroxypropanoic acid homopolymer; L1750_SIGMA; 199257_ALDRICH; 69771_FLUKA |
C3H6O3 |
90.08 |
CC(C(=O)O)O |
|
TCMBANKIN059070 |
BU3 |
237639_ALDRICH; C03044; ZINC00901616; CHEBI:16982; (2R,3R)-butane-2,3-diol; (2R,3R)-(−)-2,3-Butanediol; NSC15829;2,3-butanediol;(2R,3R)-(-)-2,3-Butanediol, 97%; 32399-EP2301933A1; CHEBI:16982; OWBTYPJTUOEWEK-QWWZWVQMSA-N; 2,3-Butanediol, (R*,R*)-(+-)-; 2,3-Butanediol, (-)-; AKOS015907648; RTR-011239; Levo-2,3-Butanediol; FT-0604653; (R,R)-2,3-butanediol; AC1Q59P8; TR-011239; D-(-)-2,3-Butanediol; NSC15829; (R,R)-(-)-Butane-2,3-diol; L-(-)-2,3-Butanediol; CTK2F5358; OR02B2286A; NSC-15829; C03044; UNII-TMS4MGA0H4 component OWBTYPJTUOEWEK-QWWZWVQMSA-N; KB-03485; 24347-58-8; (2R,3R)-butane-2,3-diol; (2R,3R)-rel-2,3-Butanediol; BU3; AC1L5EEH; UNII-OR02B2286A; AKOS016015450; RP18534; (2R, 3R)-(-)-2,3-butanediol; AK-84477; ST24033981; (2r,3r)-butan-2,3-diol; (2R*,3R*)-2,3-dihydroxybutane; ZINC901616; (R,R)-(-)-2,3-Dihydroxybutane; (2R, 3R)(-)-2,3-butanediol; (-)-(r,r)-2,3-butanediol; (R,R)-(-)-2,3-Butylene Glycol; MolPort-003-927-419; (R,R)-2,3-Butylene glycol; (2R,3R)-(+)-2,3-butanediol; UNII-45427ZB5IJ component OWBTYPJTUOEWEK-QWWZWVQMSA-N; ANW-25408; I14-2853; J-506903; (R,R)-Butane-2,3-diol; (2R,3R)-(-)-2,3-Butanediol; 32399-EP2311827A1; EINECS 246-186-9; BP-30189; J-500969; (2R,3R)-2,3-butanediol; (r,r)-2,3 butanediol; (-)-(2R,3R)-Butanediol; KS-00000V6N; AJ-24368; (-)-2,3-butanediol; UNII-6510BGK6C5 component OWBTYPJTUOEWEK-QWWZWVQMSA-N; 2,3-Butanediol #; AC-26496; 347B588; (R,R)-(-)-2,3-Butanediol; D(-)-2,3-butanediol; A817243; TL8002002; MFCD00064267; 2,3-Butanediol, threo-; 6982-25-8; DB-009316; FT-0696715; 2,3-Butanediol, [R-(R*,R*)]- |
C4H10O2 |
90.12 |
CC(C(C)O)O |
|
TCMBANKIN059090 |
tert-Butylurea |
FR-2318; N-tert-Butylurea; 1118-12-3; (1,1-Dimethylethyl)urea; BRN 1744501; 4-04-00-00665 (Beilstein Handbook Reference); NSC4604; Urea, tert-butyl-; 19939_FLUKA; EINECS 214-257-3; SBB008606; NSC 4604; Urea, (1,1-dimethylethyl)-; ZINC00397497 |
C5H12N2O |
116.16 |
CC(C)(C)NC(=O)N |
|
TCMBANKIN059095 |
2-methyl-3-buten-2-ol |
alpha,alpha-Dimethylallyl alcohol; 2-methylbut-3-ene-2-ol; 3-Hydroxy-3-methylbutene; TRA0020327; Methylbutenol; DTXSID3047471; 2-METHYL-3-BUTEN-2-OL; 1,1-Dimethyl-2-propen-1-ol; CAS-115-18-4; CTK0H5270; CHEBI:132752; .alpha.,.alpha.-Dimethylallyl alcohol; ACMC-1C7AH; 1,1-Dimethyl-2-propenyl alcoho; 3-Hydroxy-3-methyl-1-butene; isoprenyl alcohol; NCGC00357265-01; 3-Butyn-2-ol, 2-methyl- (8CI,9CI); RTR-034118; 2-Methyl-3-buten-2-ol, analytical standard; 3-methylbut-1-en-3-ol; AN-22741; AI3-23122; 4-01-00-02132 (Beilstein Handbook Reference); 1-dimethyl-2-propenol; UNII-SH64HE46L9; Dimethylvinylmethanol; NSC15977; 1,1-dimethyl-2-propenyl alcohol; STOCK1N-73566; 2-vinyl-2-propanol; 1,1-Dimethylallyl alchol; 3-Methyl-1-butene-3-ol; MCULE-5809739830; 3-Methyl-buten-(1)-ol-(3) [German]; 2-Methyl-3-butene-2-ol; 2-hydroxy-2-methyl-3-butene; methyl-3-buten-2-ol, 2-; 2-methyl-but-3-en-2-ol; 3-methyl-but-1-en-3-ol; NSC-15977; 115-18-4; KSC175E7B; AC1Q718W; KB-68998; Jsp001113; AKOS009156785; SH64HE46L9; 1,1-Dimethyl-2-propanol; AC1L1QLP; 1, 1-Dimethyl-2-propenol; C5H10O; BRN 1698263; CJ-29489; ZINC1733761; 2-Methyl-3-buten-2-ol, 98%; 2-Methyl-2-hydroxy-3-butene; EINECS 204-068-4; I14-17405; LS-47240; 3-hydroxy-3-methylbut-1-ene; NSC 15977; 3-methyl-3-hydroxybut-1-ene; 3-Buten-2-ol, 2-methyl-; EC 204-068-4; Dimethylvinylcarbinol; dimethyl vinyl carbinol; FT-0612937; DSSTox_GSID_47471; C21402; Tox21_303823; 2-Methyl-3-buten-2-ol, >=98%; 1-dimethylallyl alcohol; MolPort-001-792-058; 3-methyl-buten-3-ol; 7316AF; InChI=1/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H; 1,1-Dimethylallyl alcohol; 2-Methyl but-3-ene-2-ol; 1-Buten-3-ol, 3-methyl-; 2-Methyl-3-buten-2-yl alcohol; M0178; 3-Methyl-1-buten-3-ol; TR-034118; HNVRRHSXBLFLIG-UHFFFAOYSA-N; 1,1-Dimethyl-2-propenol; DSSTox_CID_27471; Vinyldimethylcarbinol; CH2=CHC(CH3)2OH; ANW-16850; KS-00000UWF; DB-060705; MFCD00004470; 2-Methylbut-3-en-2-ol; 3-Methyl-buten-(1)-ol-(3); AC1Q1NNW; 1, 1-Dimethylallyl alcohol1,1-Dimethylallyl alchol; alpha,alpha-Dimethylallyl alcohol; 2-Methyl-3-buten-2-ol; 3-Hydroxy-3-methylbutene; EINECS 204-068-4; 66090_FLUKA; InChI=1/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H; 1,1-Dimethylallyl alcohol; 3-Methyl-buten-(1)-ol-(3) [German]; .alpha.,.alpha.-Dimethylallyl alcohol; 1-Buten-3-ol, 3-methyl-; 115-18-4; 2-Methyl-3-buten-2-yl alcohol; 3-Methyl-1-buten-3-ol; W503908_ALDRICH; 3-Hydroxy-3-methyl-1-butene; NSC 15977; 3-Butyn-2-ol, 2-methyl- (8CI,9CI); 3-Buten-2-ol, 2-methyl-; 1,1-Dimethyl-2-propanol; Vinyldimethylcarbinol; ZINC01733761; AI3-23122; 4-01-00-02132 (Beilstein Handbook Reference); 2-Methylbut-3-en-2-ol; BRN 1698263; Dimethylvinylcarbinol; Dimethylvinylmethanol; 136816_ALDRICH; 1,1-Dimethyl-2-propenol; NSC15977; 2-Methyl-2-hydroxy-3-butene |
C5H10O |
86.13 g/mol |
CC(C)(C=C)O |
|
TCMBANKIN059127 |
3-methyl butanone |
MIPK; EINECS 209-264-3; NSC 9379; 3-Methyl-2-butanone; WLN: 1Y1&V1; 59600_FLUKA; Methylbutanone (VAN); Methylbutanone; 2-Acetylpropane; 2-Methyl-3-butanone; 3-Methylbutan-2-one [UN2397] [Flammable liquid]; 3-methylbutan-2-one; 3-Methyl butanone; Caswell No. 555A; Methyl isopropyl ketone; Methyl butanone-2; EPA Pesticide Chemical Code 044104; Isopropyl methyl ketone; InChI=1/C5H10O/c1-4(2)5(3)6/h4H,1-3H; 537721_SIAL; 46212_RIEDEL; 563-80-4; 2-Butanone, 3-methyl-; UN2397; ZINC01699949; 3-Methylbutanone; 52325-52-7; NSC9379; 2-Acetyl propane; 2-BUTANONE,3-METHYL METHYL ISOPROPYL KETONE; AI3-24194; Ketone, isopropyl methyl |
C5H10O |
86.13 g/mol |
CC(C)C(=O)C |
|
TCMBANKIN059159 |
capsaicin |
8-Methyl-N-vanillyl-6-nonenamide, (E)-; AKOS007930159; Bio-0615; GTPL2486; Bio2_000748; EPA Pesticide Chemical Code 070701; Zostrix HP; S07O44R1ZM; TC-030399; 360376_ALDRICH; NCGC00017337-07; Citrus Aurantium 30%; AK589917; ZOSTRIX (TN); HMS2230O23; D0U5CE; HMS1989N10; IDI1_034018; DSSTox_GSID_20241; Isodecenoic acid vanillylamide; NGX-7325; NCGC00017337-04; HMS1791N10; NCGC00090853-08; NCGC00090853-11; KBio3_000536; (E)-8-Methyl-N-vanillyl-6-nonenamide(8cl); NSC-757844; M2028_SIGMA; E-CAPSAICIN; Capsaicin, from Capsicum sp., >=50% (HPLC); (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide; MCULE-8056866140; Capsaicin [USP:INN]; NCGC00257869-01; 6-Nonenamide, 8-methyl-N-vanillyl-, (E)-; DB06774; trans-N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide; SMR000718774; KBioGR_000268; MEGxp0_001448; 6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (E)-; Caswell No. 158; Prestwick2_000879; KBio1_000354; FEMA No. 3404; Capsaicin, analytical standard; N735; HMS3649N15; SBI-0052593.P002; AJ-26667; BRD-K50590187-001-06-6; CAS_404-86-4; NCGC00017337-02; HMS1921H11; 8-Methyl-N-vanillyl-trans-6-nonenamide; 21750_FLUKA; ZINC01530575; Vanilloid; YKPUWZUDDOIDPM-SOFGYWHQSA-N; MR3H3; (E)-N-((4-Hydroxy-3-methoxyphenyl)-methyl)-8-methyl-6-nonenamide; 6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (6E)-; HMS1570P19; capsaicin ; Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8 -methyl-, (E)-; KBio3_000535; Zostrix (TN); KBio2_000783; 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6E)-; NCGC00017337-06; Capsaicin, European Pharmacopoeia (EP) Reference Standard; Capsicin; N-(3-Methoxy-4-hydroxybenzyl)-8-methyl-6-nonenamide; KBioSS_000783; N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide, (E)-; Bitter orange extract 30%; N-(4-Hydroxy-3-methoxybenzyl)-8-methylnon-trans-6-enamide; SR-05000001861-5; Capsaicin, certified reference material, TraceCERT(R); CAPSAICIN, NATURAL; DSSTox_RID_75455; 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (E)-; Capsaicin, Pharmaceutical Secondary Standard; Certified Reference Material; N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide; depletes Substance P; trans-8-Methyl-N-vanillyl-6-nonenamide; BDBM20461; MolPort-001-742-263; 1217899-52-9; NCGC00090853-03; SR-05000001861; Spectrum_000303; UPCMLD-DP092:001; Capsaicin, >=95%, from Capsicum sp.; Capsaicin (transdermal patch formulation, neuropathic pain); I01-2469; Nonenamide, 8-methyl-N-vanillyl-, (E)-; SR-05000001861-9; CC0144; Transacin; AC1Q46B3; SDCCGMLS-0066678.P001; SR-05000001861-6; Axsain; AN-23437; (6E)-N-{[4-hydroxy-3-(methyloxy)phenyl]methyl}-8-methylnon-6-enamide; (E)-N-(4-Hydroxy-3-methoxybenzyl); (E)8-methyl-N-vanillyl-6-Nonenamide; CCRIS 1588; Capsaicin (JAN/USP); Capsaicin (Natural); trans-Capsaicin-d3; N0C781; trans-8-Methyl-N-vanillylnon; M1149; SC-19636; (E)-N-(4-hydroxy-3-methoxy-benzyl)-8-methyl-non-6-enamide; Styptysat; HMS2097P19; NCGC00017337-11; KBio3_002417; neurotoxic; CHEMBL294199; Capsaicin (in oleoresin of capsicum); NCGC00090853-01; N-(4-hydroxy-3-methoxy-benzyl)-8-methyl-non-6-enamide; Capsaicin [USAN]; Capsicine; NCGC00017337-08; NCGC00017337-09; C06866; N-[(4-hydroxy-3-methoxy-phenyl)methyl]nonanamide; NGX-1998; Tox21_110817; SCHEMBL8086; UNII-S07O44R1ZM; NSC 56353; (E)-N-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]-8-METHYL-6-NONENAMIDE; BDBM86537; LMFA08020085; N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide; KBio2_002836; trans-8-methyl-N-vanillyl-6-nonenamide; NCGC00090853-06; CHEBI:94524; NCGC00090853-09; NCGC00090853-02; Bio2_000268; HMS3402N10; Prestwick_204; Prestwick3_000879; 8-Methyl-N-vanillyl-6E-nonenamide; Spectrum4_001739; 8-Methyl-N-Vanillyl-6-Nonenamide; N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide; BSPBio_001548; LS-2138; Capsaicin, United States Pharmacopeia (USP) Reference Standard; KBioGR_002158; EINECS 206-969-8; Bio1_000468; SPBio_002878; KBio2_000268; MFCD00017259; Bio1_001446; nchembio862-comp2; 6-Nonenamide, (E)-N-((4-hydroxy-3-methoxy-phenyl)methyl)-8-methyl; NSC-56353; NSC757844; DTXSID9020241; Ausanil; HMS501B16; HMS2092D21; EI-125; NCGC00090853-04; AK113598; NCI-C56564; Qutenza; SR-05000001861-4; [(E)-N-(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide; (6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide; Adlea; MLS002154049; (E)-8-Methyl-N-vanillyl-6-nonenamide; Pharmakon1600-01501128; Spectrum5_000538; (e)-n-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide; 6-Nonenamide, (E)-; SCHEMBL8085; AB00053098-11; Capsaicin [in oleoresin of capsicum]; CJ-23980; NCGC00017337-12; HSDB 954; NGX 4010; CAS-404-86-4; BRN 2816484; 4CH-016296; NSC56353; IDI1_000354; RTC-030399; (E)-Capsaicin; TL8002946; NCGC00017337-05; CS-1518; Mioton; BG01597556; DivK1c_000354; 12084_FLUKA; Bio1_000957; AC-10114; AC1LU7K3; UPCMLD-DP092; N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide; TQ-1018; FT-0082538; Zostrix; NCGC00017337-03; AB00053098_12; SPECTRUM1501128; KS-5181; Prestwick1_000879; Capsaicin, from natural source; NCGC00017337-13; n-(4-hydroxy-3-methoxybenzyl)-8-methyl-6-nonenamide; Spectrum2_000770; NSC_2548; Prestwick0_000879; BPBio1_001053; NCGC00090853-10; C18H27NO3; NCGC00090853-12; W-5044; CAPSAICINE; SR-05000001861-1; Tox21_200315; HMS1361N10; D00250; (6E)-N-(4-Hydroxy-3-methoxybenzyl)-8-methyl-6-nonenamide #; Spectrum3_001449; HY-10448; (E)-N-[(4-Hydroxy-3-methoxyphenyl)-methyl]-8-methyl-6-nonenamide; BSPBio_002917; ST057183; KBio2_005919; ZINC1530575; SPBio_000820; N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide; NCGC00017337-10; CCG-39908; STL372889; N-[(4-hydroxy-3-methoxyphenyl)methyl]-6E-8-methyl-nonenamide; Capsaicin Patch; UPCMLD-DP092:002; NGX-3781; BBL027836; (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide; Capsaicin (8-Methyl-N-vanillyl-6-nonenamide); 912457-62-6; HMS2089N11; Capsaicin; epsilon-capsaicin; (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide; NGX-4010; 6-Nonenamide, 8-methyl-N-vanillyl-, (E)- (8CI); KBioSS_000268; 21748_FLUKA; Citrus Aurantium Extract; KBio2_005404; TNP00277; trans-Capsaicin; CHEBI:3374; Capsaicin(Qutenza); CITRUS AURANTIUM PE; CAPSAICIN (2444-46-4 NONIVAMIDE (SYNTHETIC CAPSAICIN)); N1667; BSPBio_000957; 4-13-00-02588 (Beilstein Handbook Reference); BRD-K37056290-001-01-1; KBio2_003351; NCGC00090853-07; SMP2_000337; NINDS_000354; Isodecenoate; DSSTox_CID_241; ALGRX 4975; 404-86-4; CAPSAICINOIDS;Vanilloid;campsiol;capsaicin |
C18H27NO3 |
305.41 |
CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN059230 |
isovalericacid |
LS-2386; ST5213941; Iva; Butanoic acid , 3-methyl-; Butyric acid, 3-methyl-; Kyselina isovalerova [Czech]; W310212_ALDRICH; Isobutyl formic acid; beta-Methylbutyric acid; 92634-50-9; 503-74-2; CHEBI:28484; WLN: QV1Y1&1; EINECS 207-975-3; 3-Methylbutyrate; isovaleric acid; METHYLBUTANOIC ACID; 4-02-00-00895 (Beilstein Handbook Reference); InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7; NSC62783; Isovaleric acid (natural); 3-Methylbuttersaeure; Delphinic acid; 129542_ALDRICH; AI3-24132; NSC 62783; Butanoic acid, 3-methyl-, (R)-; FEMA Number: 3102; 3-methyl-butanoic acid; Acetic acid, isopropyl-; Isovaleriansaeure; 3-Methylbutyric acid; C08262; 3,4-Diisovaleryl adrenaline; HSDB 629; Isovalerianic acid; .beta.-Methylbutyric acid; BRN 1098522; 59850_FLUKA; Isopropylacetic acid; LMFA01020181; Isobutylformic acid; FEMA No. 3102; Isovaleric acid; Butanoic acid, 3-methyl-; W310204_ALDRICH; Isopentanoic acid; Isovalerianic; 35915-22-1; 3-Methylbutanoic acid |
C5H10O2 |
102.13 g/mol |
CC(C)CC(=O)O |
|
TCMBANKIN059240 |
Isovaleral |
Aldehyde isovalerianique [French]; Isopentanal; beta-Methylbutanal; 2-Methylbutanal-4; C07329; 3-Methyl butyraldehyde; 3-Methylbutanal; Isovaleric aldehyde; 1-Butanal, 3-methyl-; Isopentaldehyde; W269212_ALDRICH; Isoamyl aldehyde; WLN: VH1Y1&1; 4-01-00-03291 (Beilstein Handbook Reference); 59820_FLUKA; Butanal, 3-methyl-; beta-Methylbutyraldehyde; InChI=1/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H; .beta.-Methylbutanal; 3-Methylbutylaldehyde; 590-86-3; EINECS 209-691-5; 3-Methylbutyraldehyde (natural); NSC 404119; BRN 0773692; Butanal, methyl-; CCRIS 2945; NSC404119; Isoamylaldehyde; ZINC00896832; iso-C4H9CHO; W269204_ALDRICH; FEMA No. 2692; AI3-16106; HSDB 628; Isovalerylaldehyde; 3-Methylbutan-1-al; 3-Methylbutyraldehyde; 146455_ALDRICH; CHEBI:16638; 3-Methyl-1-butanal; 26140-47-6; Isovaleraldehyde; Butyraldehyde, 3-methyl-; Butanal,- methyl-; Butanal, 3- methyl-; isovaleraldehyde; 3-methyl butanal |
C5H10O |
86.13 |
CC(C)CC=O |
|
TCMBANKIN059274 |
Ucar AC |
.beta.-Hydroxyethyl isopropyl ether; InChI=1/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H; Isopropylglycol; 109-59-1; ETHANOL, ISOPROPOXY-; EINECS 203-685-6; 2-Isopropoxyethanol; Ethanol, 2-isopropoxy-; Monoisopropyl ether of ethylene glycol; 107891_ALDRICH; Ethylene glycol, monoisopropyl ether; BRN 1732184; Iso-propyl glycol ether; ZINC01591818; Isopropylethylene glycol ether; beta-Hydroxyethyl isopropyl ether; Isopropyl Cellosolve; NSC 1259; Ethylene glycol isopropyl ether; ISOPROPOXYETHANOL; 59670_FLUKA; Ethanol, 2-(1-methylethoxy)-; Isopropylethanediol; 2-(1-Methylethoxy)ethanol; NSC1259; HSDB 2831; Ethylene glycol monoisopropyl ether; Isopropyl glycol; Dowanal EiPAT; Dowanol EiPAT; AI3-03871; 63992-09-6; WLN: Q2OY1 & 1; 2-propan-2-yloxyethanol; 4-01-00-02380 (Beilstein Handbook Reference); Isopropyl Oxitol |
C5H12O2 |
104.15 |
CC(C)OCCO |
|
TCMBANKIN059340 |
5β-cholanicacid |
5 beta-cholanic acid; Cholanoic acid; 5.beta.-Cholanic acid; CHEBI:36238; Cholan-24-oic acid, (5beta)- (9CI); LMST04010441; Cholan-24-oic acid, (5.beta.)-; (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid; NSC18161; (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid; Ursocholanic acid; 5beta-Cholanoic acid; 5beta-Cholan-24-oic acid (8CI); NSC 18161; Androstane-17-butanoic acid, gamma-methyl-, (5beta,17beta)-; 5beta-Cholan-24-oic Acid; 5.beta.-Cholan-24-oic acid; L 596205-0; 5beta-Cholanic acid; Androstane-17-butanoic acid, .gamma.-methyl-, (5.beta.,17.beta.)-; (5beta)-cholan-24-oic acid; 546-18-9; 5.beta.-Cholanoic acid; (5beta,17beta)-gamma-methylandrostane-17-butanoic acid |
C24H40O2 |
360.57 |
CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C |
|
TCMBANKIN059367 |
1,2-propanediol |
aliphatic alcohol; Centella sugar; PGR; (S)-(+)- 1,2-propanediol; 4254-14-2; ZINC00895318; (R)-Propylene glycol; 82284_FLUKA; CHEBI:28972; C02912; R-1,2-PROPANEDIOL; 2,3-PROPANDIOL; (R)-(−)-1,2-Propanediol; HP3; (R)-(−)-Propylene glycerol; (R)-(−)-Propylene glycol; 540242_ALDRICH; (R)-Propane-1,2-diol; NSC90793; (2R)-propane-1,2-diol; (R)-1,2-Propanediol |
C3H8O2 or CH3CHOHCH2OH |
76.09 g/mol |
CC(CO)O |
|
TCMBANKIN059369 |
2-methyl-2-butene |
HSDB 2072; 3-Methyl-2-butene; 2-Methyl-2-butene; .beta.-Isoamylene; InChI=1/C5H10/c1-4-5(2)3/h4H,1-3H; Methyl butene; 304042_ALDRICH; M32704_ALDRICH; beta-Isoamylene; NSC 74118; AI3-37711; 66050_FLUKA; 2-Methyl-2-butene solution; A07603500; 379263_ALDRICH; EINECS 208-156-3; 2-Methyl-2-butene [UN2460] [Flammable liquid]; 2-Methylbut-2-ene; 86262_FLUKA; 1,1,2-Trimethylethylene; 513-35-9; n-Amylene; Ethylene, trimethyl-; 2-Butene, 2-methyl-; Amylene (VAN); b-isoamylene; NSC74118; Trimethylethylene; WLN: 2UY1&1; UN2460 |
C5H10 |
70.13 g/mol |
CC=C(C)C |
|
TCMBANKIN059428 |
BEO |
|
C4H6O2 |
86.09 g/mol |
CC=CC(=O)O |
|
TCMBANKIN059435 |
2- Butenal |
|
C4H6O |
70.09 g/mol |
CC=CC=O |
|
TCMBANKIN059452 |
ethyl aldehyde |
|
C2H4O |
44.05 g/mol |
CC=O |
|
TCMBANKIN059684 |
Vitamin E β- |
|
C29H50O2 |
430.79 |
CC1=C(C(=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O |
|
TCMBANKIN059715 |
vitamin a |
|
C20H30O |
286.5 g/mol |
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C |
|
TCMBANKIN059746 |
α-tocopherol |
|
C29H50O2 |
430.7 g/mol |
CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C |
|
TCMBANKIN059815 |
tanshinone i |
|
C18H12O3 |
276.3 g/mol |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C |
|
TCMBANKIN059926 |
(-)-gossypol |
|
C30H30O8 |
518.6 g/mol |
CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O |
|
TCMBANKIN060264 |
rutin |
|
C27H30O16 |
610.5 g/mol |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O |
|
TCMBANKIN060599 |
Methylcyclopentane |
|
C30H54S2;C6H12 |
478.88;84.16 |
CC1CCCC1 |
|
TCMBANKIN060624 |
2-butanal |
|
C4H8O |
72.11 g/mol |
CCC(=O)C |
|
TCMBANKIN060633 |
PPI |
|
C3H6O2 |
74.08 g/mol |
CCC(=O)O |
|
TCMBANKIN060636 |
ethylpropionate |
|
C5H10O2 |
102.13 g/mol |
CCC(=O)OCC |
|
TCMBANKIN060637 |
D-2-Aminobutyrate |
|
C4H9NO2 |
103.12g/mol |
CCC(C(=O)O)N |
|
TCMBANKIN060693 |
Sitogluside |
|
C35H60O6 |
576.85g/mol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C |
|
TCMBANKIN060720 |
CIS-2-PENTENOL |
|
C5H10O |
86.13g/mol |
CCC=CCO |
|
TCMBANKIN060739 |
1-ethyl-cyclohexene |
|
C8H14 |
110.2 g/mol |
CCC1=CCCCC1 |
|
TCMBANKIN060759 |
Pentanone |
|
C5H10O |
86.13 g/mol |
CCCC(=O)C |
|
TCMBANKIN060768 |
BUA |
|
C4H8O2 |
88.11g/mol |
CCCC(=O)O |
|
TCMBANKIN060772 |
2-methyl pentane |
|
C6H14 |
86.18 g/mol |
CCCC(C)C |
|
TCMBANKIN060773 |
3-methylhexane |
|
C7H16 |
100.2 |
CCCC(C)CC |
|
TCMBANKIN060778 |
3-hexanol;ZINC02013201 |
|
C6H14O |
102.17 g/mol |
CCCC(CC)O |
|
TCMBANKIN060795 |
Butal |
|
C4H8O |
72.11 g/mol |
CCCC=O |
|
TCMBANKIN060800 |
propyl cyclopentane |
|
C8H16 |
112.21 |
CCCC1CCCC1 |
|
TCMBANKIN060803 |
pentanoic acid |
|
C5H10O2 |
102.13 g/mol |
CCCCC(=O)O |
|
TCMBANKIN060804 |
METHYL VALERATE |
|
C6H12O2 |
116.16g/mol |
CCCCC(=O)OC |
|
TCMBANKIN060806 |
2-methyl-hexanoic acid |
|
C7H14O2 |
130.18 |
CCCCC(C)C(=O)O |
|
TCMBANKIN060807 |
3-methylheptane |
|
C8H18 |
114.23 |
CCCCC(C)CC |
|
TCMBANKIN060813 |
1-hexene |
|
C6H12 |
84.16 g/mol |
CCCCC=C |
|
TCMBANKIN060814 |
(E)-oct-3-en-2-one |
|
C8H14O |
126.2 |
CCCCC=CC(=O)C |
|
TCMBANKIN060815 |
Heptenoic acid |
|
C7H12O2 |
128.17 g/mol |
CCCCC=CC(=O)O |
|
TCMBANKIN060816 |
Octadiene |
|
C8H14 |
110.2 g/mol |
CCCCC=CC=C |
|
TCMBANKIN060818 |
2,4-nonadienal |
|
C9H14O |
138.21 g/mol |
CCCCC=CC=CC=O |
|
TCMBANKIN060837 |
HEX |
|
C6H14 |
86.18 g/mol |
CCCCCC |
|
TCMBANKIN060846 |
Methyl hexoate |
|
C7H14O2 |
130.18 |
CCCCCC(=O)OC |
|
TCMBANKIN060850 |
2-methyl-Heptane |
|
C8H18 |
114.23 g/mol |
CCCCCC(C)C |
|
TCMBANKIN060853 |
CHEBI:39932 |
|
C8H16O |
128.21 |
CCCCCC(C=C)O |
|
TCMBANKIN060879 |
Linolic acid |
|
C18H32O2 |
280.4 g/mol |
CCCCCC=CCC=CCCCCCCCC(=O)O |
|
TCMBANKIN060887 |
2-octen-1-ol |
|
C8H16O |
128.21 g/mol |
CCCCCC=CCO |
|
TCMBANKIN060896 |
Heptan |
|
C7H16 |
100.2 |
CCCCCCC |
|
TCMBANKIN060903 |
Octylene;1-octene |
|
C8H16 |
112.21 g/mol |
CCCCCCC=C |
|
TCMBANKIN060906 |
trans-2-nonenal |
|
C9H16O |
140.22 g/mol |
CCCCCCC=CC=O |
|
TCMBANKIN060917 |
(E)-2-nonen-1-ol |
|
C9H18O |
142.24 g/mol |
CCCCCCC=CCO |
|
TCMBANKIN060958 |
oleic acid;cis-oleic acid;oleinic acid |
|
C18H34O2 |
282.46 |
CCCCCCCCC=CCCCCCCCC(=O)O |
|
TCMBANKIN061197 |
n-Hexyl formate |
|
C7H14O2 |
130.18 g/mol |
CCCCCCOC=O |
|
TCMBANKIN061198 |
1- Pentanol |
|
C5H12O |
88.15 g/mol |
CCCCCO |
|
TCMBANKIN061199 |
amyl acetate |
|
C7H14O2 |
130.18 g/mol |
CCCCCOC(=O)C |
|
TCMBANKIN061202 |
Butanol |
|
C4H10O |
74.12 g/mol |
CCCCO |
|
TCMBANKIN061219 |
BUCB |
|
C8H18O3 |
162.23 g/mol |
CCCCOCCOCCO |
|
TCMBANKIN061244 |
OXA |
|
C2H6O |
46.07 |
CCO |
|
TCMBANKIN061245 |
Acetic ether |
|
C4H8O2 or CH3COOC2H5 |
88.11 g/mol |
CCOC(=O)C |
|
TCMBANKIN061257 |
catalase |
|
C9H10O3 |
166.17 g/mol |
CCOC(=O)C1=CC=C(C=C1)O |
|
TCMBANKIN061270 |
Ethyl formate |
|
C3H6O2 |
74.08 |
CCOC=O |
|
TCMBANKIN061279 |
Diethyl ether |
|
C4H10O |
74.12 g/mol |
CCOCC |
|
TCMBANKIN061283 |
trimethylamine |
|
C3H9N |
59.11 g/mol |
CN(C)C |
|
TCMBANKIN061382 |
sarcosine |
N- methyl glycine |
C3H7NO2 |
89.09 g/mol |
CNCC(=O)O |
|
TCMBANKIN061383 |
Phenylephrine |
Carney glycosides |
C9H13NO2 |
167.2 g/mol |
CNCC(C1=CC(=CC=C1)O)O |
|
TCMBANKIN061387 |
Methanol |
methyl alcohol;OME;Methanol cluster; 40296_RIEDEL; NSC 85232; NSC85232; 65542_FLUKA; a primary alcohol; Acetonitrile:Methanol solution; 662186_ALDRICH; 32213_RIEDEL; 34672_RIEDEL; EPA Pesticide Chemical Code 053801; Colonial spirit; Wilbur-Ellis Smut-Guard; Methylalkohol; 632546_ALDRICH; 40217_RIEDEL; 439193_SIAL; Metanol [Spanish]; UN1230; 34966_RIEDEL; RCRA waste no. U154; primary alcohols; Coat-B1400; ST5214368; Methyl alcohol (NF); 524573_ALDRICH; 34485_RIEDEL; Metanolo; Methanol solution; Metylowy alkohol; Methanol with 0.1% formic acid; 524565_ALDRICH; Alcool methylique [French]; Methanol, or methyl alcohol [UN1230] [Flammable liquid, Poison]; 414794_ALDRICH; M1775_SIGMA; CHEBI:15734; Pyroxylic spirit; JandaJel-OH; EINECS 200-659-6; 650196_ALDRICH; methanol; 67-56-1; NCGC00091172-01; Methyl hydroxide; 650161_ALDRICH; 179957_ALDRICH; Columbian spirits; 646377_ALDRICH; Primary alcohol; Methanol with 0.1% acetic acid; 632457_ALDRICH; c0132; Methanol, or methyl alcohol [UN1230] [Flammable liquid, Poison]; 414719_ALDRICH; 34860_SIAL; Dichloromethane:Methanol solution; 633240_ALDRICH; methyl alcohol; Dimethyl sulfoxide:Methanol solution; Methanol with 0.1% ammonium acetate; 650609_ALDRICH; Metanolo [Italian]; C00132; Surflo-B17; RCRA waste number U154; Alcool methylique; CHEBI:17790; Metylowy alkohol [Polish]; Columbian spirits; Alcool metilico [Italian]; Alcohol, methyl; 34885_RIEDEL; 179337_SIAL; 577898_ALDRICH; WLN: Q1; CH3OH; HYDRANAL-Methanol dry; AI3-00409; Caswell No. 552; 54841-71-3; 667390_ALDRICH; 494437_ALDRICH; 414816_ALDRICH; D02309; Wood; 651133_ALDRICH; 1-Alcohol; OMB; 154903_SIAL; HSDB 93; Ideal Concentrated Wood Preservative; Colonial spirits; Freers Elm Arrester; 34940_RIEDEL; 82762_FLUKA; 524581_ALDRICH; METOH; HYDRANAL-Water-in-methanol Standard 5.00; 676780_SIAL; Monohydroxymethane; Methylalkohol [German]; X-Cide 402 Industrial Bactericide; 34802_RIEDEL; 34671_RIEDEL; M1770_SIGMA; Methyl hydrate; wood alcohol; CCRIS 2301; Eureka Products Criosine Disinfectant; HYD-CH2; Columbian spirit; Pyroxylic spirits; Alcool metilico; Wood naphtha; 322415_ALDRICH; 65554_FLUKA; Methanol-water mixture; Methanol with 0.1% trifluoroacetic acid; MOH; MeOH; 24229_RIEDEL; Eureka Products, Criosine; 34741_RIEDEL; 650188_ALDRICH; 34670_RIEDEL; Methylol; 34898_RIEDEL; CHEBI:30879; OXYMETHYLENE BRIDGING GROUP; Wood spirit; AIDS122685; AIDS-122685; 644374_ALDRICH; Bieleski's solution; Solutions, Bieleski's; 34974_RIEDEL; InChI=1/CH4O/c1-2/h2H,1H; RFPDX@; carbinol; METHOXY GROUP |
CH4O |
32.042 g/mol |
CO |
|
TCMBANKIN061388 |
methylether |
Methoxymethane; CHEBI:28887; Methane, oxybis-; EINECS 204-065-8; Methyl ether; Oxybismethane; (CH3)2O; HSDB 354; Dimethyl ether [UN1033] [Flammable gas]; c0147; C11144; InChI=1/C2H6O/c1-3-2/h1-2H; Wood ether; Dimehtylether; Dimethyl oxide; 115-10-6; Demeon D; 157621-61-9; Methyl oxide; Dimethyl ether; UN1033; 295299_ALDRICH; Ether, methyl; Ether, dimethyl; CH3-O-CH3;Dymel A |
C2H6O |
46.07 g/mol |
COC |
|
TCMBANKIN061402 |
methyl 3,4-dihydroxybenzoate |
Methyl 3,4-dihydroxybenzoate; 2150-43-8; ZINC00405329; NSC146458; Benzoic acid, 3,4-dihydroxy-, methyl ester; 3,4-Dihydroxybenzoic acid methyl ester; Protocatechuic acid, methyl ester; ST5411547; Methyl protocatechuate; 3,4-dihydroxy methyl benzoate; protocatechuic acid methyl ester |
C8H8O4 |
168.15 g/mol |
COC(=O)C1=CC(=C(C=C1)O)O |
|
TCMBANKIN061430 |
Methyl-alpha-D-fructofuranoside |
AC1O3DA5; methyl-alpha-d-fructofuranoside; 53431-77-9; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxy-tetrahydrofuran-3,4-diol; (2R,3S,4R,5R)-2-ethoxy-2-(hydroxymethyl)oxane-3,4,5-triol; methyl-α-d-fructofuranoside; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol; ethyl beta-d-fructopyranoside; (2S,3S,4S,5R)-2-methoxy-2,5-dimethylol-tetrahydrofuran-3,4-diol; ethyl beta-fructopyranoside; beta-D-Fructopyranoside, ethyl; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxytetrahydrofuran-3,4-diol; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxy-oxolane-3,4-diol;methyl-β-D-fructofuranoside |
C7H14O6 |
194.18 |
COC1(C(C(C(O1)CO)O)O)CO |
|
TCMBANKIN061617 |
eugenol 4-Allyl-2-methoxyphenol |
|
C10H12O2 |
|
COC1=C(C=CC(=C1)CC=C)O |
|
TCMBANKIN061689 |
Uvadex |
DSSTox_GSID_20830; Methoxsalen plus ultraviolet radiation; 8-Methoxy-4',5',6,7-furocoumarin; NC00652; CC-30277; 9-Methoxy-7H-furo[3,2-g]chromen-7-one #; 9-Methoxyfuro(3,2-g)chromen-7-one; HMS2091D20; 4CN-0934; AK111265; 9-METHOXY-2H-FURO[3,2-G]CHROMEN-2-ONE; 9-methoxyfuro[3,2-g]chromen-7-one; Vitpso; NCGC00060938-02; U4VJ29L7BQ; SPBio_002557; 8-MOP; 8-Methoxy-4',6,7-furocoumarin; SDCCGMLS-0042377.P002; CPD000071170; Spectrum2_001052; s1952; NCGC00060938-03; Delta Brand of Methoxsalen; 9-(methyloxy)-7H-furo[3,2-g]chromen-7-one; Methoxsalen, United States Pharmacopeia (USP) Reference Standard; Oxsoralen lotion; Oxsoralen; Dltasoralen; 8-Methoxy-6,7-furanocoumarin; Methoxsalen Canderm Brand; HMS2269P03; DSSTox_CID_830; NINDS_000763; KBioSS_001503; AB2000388; Methoxaten; EINECS 206-066-9; Meladinina; C01864; Methoxa-Dome; Oxoralen; Psoralen-mop; Xanthotoxin, analytical standard; NCGC00016418-04; CAS-298-81-7; KBio3_001497; AJ-39565; AN-12178; Methoxsalen [BAN:JAN]; NCGC00060938-05; 8-Methoxypsoralen, analytical standard; Dermatech Brand of Methoxsalen; 9-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one; NCGC00060938-04; NCGC00060938-06; CM-131; 8-Methoxyfuranocoumarin; Xanthotoxine; 12692-94-3; Prestwick0_000479; 8-Methoxy-2',6,7-furocoumarin; 5-Demethoxyisoimpinellin; Methoxy-8-psoralen; SMR000071170; SCHEMBL19168; MEGxp0_000095; LS-68; HSDB 2505; CS-1983; SC-13812; 9-methoxyfurano[3,2-g]chromen-2-one; NCGC00016418-03; ZINC2548959; Dermox; Psoralon-MOP; Canderm Brand of Methoxsalen; 8-methoxy-4'',5'':6,7-furocoumarin; 8MOP; Meladinin (VAN); 298M817; Oprea1_166319; NCGC00016418-14; OXSORALEN (TN); Meladinine; Oxsoralen Ultra; 7H-Furo[3, 9-methoxy-; Prestwick1_000479; AC-4259; BG00605120; Tox21_110432; BG0479; HMS3655B05; WLN: T C566 DO LVOJ BO1; Boehringer Ingelheim Brand of Methoxsalen; Uvadex; Puvamet; Sanofi Synthelabo Brand of Methoxsalen; Prestwick3_000479; NSC757114; Meladoxen; NCGC00016418-09; 5-19-06-00015 (Beilstein Handbook Reference); SAM002548974; 8-methoxyfurocoumarins; 8-methoxyfuranocoumarins; SR-01000629727-4; Oxsoralen-ultra; Q039; an 8-methoxyfurocoumarin; 8MO; methoxsalen; MFCD00005009; NCGC00178871-03; BSPBio_000618; Tox21_110432_1; MolPort-000-696-480; NCI-C55903; DSSTox_RID_75816; NCGC00016418-02; AB00052042_16; BRN 0196453; Xanthotoxin;Metoxaleno; Dltasoralen;Meladinine;Uvadex,;Oxsoralen; NCGC00016418-07; Zanthotoxin; BRD-K63430059-001-06-5; BDBM50041234; KBio2_004071; 8-METHOXYPSORALEN + UVA (SEE ALSO C55903); Methoxsalen Mex-America Brand; DB00553; Metoxaleno; 8-methoxy-[furano-3''.2'':6.7-coumarin]; NCGC00016418-10; 9-Methoxy-7H-furo[3,2- g][1]benzopyran-7-one; Spectrum_001023; Methoxa Dome; Methoxsalen (JP17/USP); 8-Methoxypsoralene; Methoxalen; EN300-52504; 5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, .delta.-lactone; CHEBI:18358; HMS502G05; GP5578; I06-0695; MLS000062633; Tox21_302816; D08SKH; BC4157549; ICN Brand 1 of Methoxsalen; AB00052042-14; 8-methoxypsoralen; Proralone-mop; X0009; AC1L1HFY; Oxypsoralen; Methoxsalen Sanofi-Synthelabo Brand; FT-0602101; Q-100381; 9-Methoxypsoralen; ST24045871; Methoxsalen with ultra-violet A theraphy; NSC 45923; 8-Methoxy-(furano-3'.2':6.7-coumarin); Prestwick_661; 8-Methoxypsoralen with ultraviolet A therapy; Pharmakon1600-01500400; Sanofi-Synthelabo Brand of Methoxsalen; NCGC00016418-08; QXKHYNVANLEOEG-UHFFFAOYSA-N; FT-0082222; BRD-K63430059-001-03-2; 9-Methoxyfuro[3,2-g][1]benzopyran-7-one; xanthotoxin ; BPBio1_000680; Methoxsalen Delta Brand; Mex-America Brand of Methoxsalen; AX8020056; C-11618; KS-00000J91; STOCK1N-03091; NCGC00256435-01; 9-Methoxy-7H-furo[3,2-g]chromen-7-one; Deltapsoralen; Oxsoralen Ul tra; 6-Hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone; IDI1_000763; D00139; Spectrum4_000052; SR-01000629727-2; Deltasoralen; CCRIS 2083; ICN Brand 3 of Methoxsalen; Meloxine; Prestwick2_000479; JC10026; J10204; 7-Furocoumarin; CHEMBL416; BSPBio_001997; Methoxsalen (JP15/USP); Geroxalen; 8-MOP ; Methoxsalen; KBio2_001503; NSC-757114; NSC45923; Ultramop; Methoxsalen Chinoin Brand; AM84906; 8-Methoxy-4',5':6,7-furocoumarin; Ammodin; Jsp005650; MCULE-2500932325; 8-MP; Methoxsalen [USP:BAN:JAN]; O-methylxanthotoxol; 9-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one; KBioGR_000543; DS-5159; UVADEX (TN); Methoxsalen, 8-; Methoxsalene; STK735539; 9-metho xy-7H-furo(3,2-g)benzopyran-7-one; Methoxsalen Dermatech Brand; 8-Methoxy-2',3',6,7-furocoumarin; NCGC00016418-05; NCGC00259316-01; DTXSID8020830; ACon1_000174; DB Brand of Methoxsalen; Tox21_201767; N1305; NCGC00178871-01; Ultra Mop; Puvalen; Methoxsalen (Oxsoralen); DivK1c_000763; Chinoin Brand of Methoxsalen; NSC-45923; Ammoidin; 8-Methoxypsoralen; NCGC00178871-02; SAM002564221; Meladinin; SR-01000629727; SBB005950; 8-Methoxy(furano-3'.2':6.7-coumarin); NCI60_004085; SBI-0051443.P003; SPBio_001004; NCGC00016418-12; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-methoxy-; XANTHOTOXIN; 9-Methoxy-7H-furo(3,2-g)benzopyran-7-one; ICN Brand 2 of Methoxsalen; 8-Methoxy; SPECTRUM1500400; 8 Methoxypsoralen; HMS2096O20; HY-30151; 298-81-7; HMS3259L13; Spectrum5_001891; AKOS000277012; 8-methoxy-2'',3'',6,7-furocoumarin; AB00052042_17; 7H-Furo(3,2-G)(1)benzopyran-7-one, 9-methoxy-; UNII-U4VJ29L7BQ; NCGC00016418-11; MLS002303011; Z1258578369; AB00052042-15; Spectrum3_000499; Galderma Brand of Methoxsalen; BC204608; KBio2_006639; NCGC00016418-01; 5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, delta-lactone; NCGC00016418-06; HMS1920N05; HMS1569O20; New-Meladinin; API0008254; Mex America Brand of Methoxsalen; 8-Methoxy-[furano-3'.2':6.7-coumarin]; NCGC00016418-15; KBio1_000763; BG01521511; A1783/0075596; CCG-36366; ST041029; Ultramop Lotion;8-methoxypsoralen;Methoxsalen plus ultraviolet radiation; 8-Methoxy-4',5',6,7-furocoumarin; 9-Methoxyfuro(3,2-g)chromen-7-one; Methoxsalen; NCGC00060938-02; 9-methoxyfuro[3,2-g]chromen-7-one; SDCCGMLS-0042377.P002; SPBio_002557; 8-MOP; Spectrum2_001052; NCGC00060938-03; 9-(methyloxy)-7H-furo[3,2-g]chromen-7-one; Oxsoralen; 8-MOP Capsules; NINDS_000763; KBioSS_001503; EINECS 206-066-9; C01864; Methoxa-Dome; Oxoralen; CAS-298-81-7; KBio3_001497; Methoxsalen [BAN:JAN]; NCGC00060938-06; NCGC00060938-04; DRG-0088; 8-Methoxyfuranocoumarin; Prestwick0_000479; 12692-94-3; Xanthotoxine; Methoxy-8-psoralen; SMR000071170; MEGxp0_000095; HSDB 2505; Psoralon-MOP; Meladinin (VAN); Oprea1_166319; Meladinine; Oxsoralen Ultra; Prestwick1_000479; WLN: T C566 DO LVOJ BO1; Prestwick3_000479; Meladoxen; 5-19-06-00015 (Beilstein Handbook Reference); AIDS001590; 8MO; BSPBio_000618; NCI-C55903; BRN 0196453; KBio2_004071; ZINC00381730; Spectrum_001023; 8-Methoxypsoralene; 5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, .delta.-lactone; Methoxalen; MLS000062633; Oxypsoralen; 9-Methoxypsoralen; Methoxsalen with ultra-violet A theraphy; NSC 45923; 8-Methoxy-(furano-3'.2':6.7-coumarin); Prestwick_661; 8-Methoxypsoralen with ultraviolet A therapy; 9-methoxy-7H-furo[3,2-g]chromen-7-one; 9-Methoxyfuro[3,2-g][1]benzopyran-7-one; BPBio1_000680; 9-METHOXY-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE; IDI1_000763; D00139; 6-Hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone; Spectrum4_000052; CCRIS 2083; Meloxine; Prestwick2_000479; BSPBio_001997; Methoxsalen (JP15/USP); Geroxalen; KBio2_001503; NSC45923; Ammodin; 8-MP; 9-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one; KBioGR_000543; Methoxsalen, 8-; 8-Methoxy-2',3',6,7-furocoumarin; AIDS-001590; ACon1_000174; Puvalen; Oxsoralen (TN); DivK1c_000763; Ammoidin; 8-Methoxypsoralen; Meladinin; NCI60_004085; 8-Methoxy(furano-3'.2':6.7-coumarin); SPBio_001004; Oxsoralen-Ultra; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-methoxy-; SPECTRUM1500400; 298-81-7; Spectrum5_001891; Xanthotoxin; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-methoxy-; Spectrum3_000499; 9-methoxy-7-furo[3,2-g]chromenone; NCGC00016418-01; KBio2_006639; 5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, delta-lactone; M3501_SIAL; New-Meladinin; Oxsoralen Lotion; 10-32-2; 8-Methoxy-[furano-3'.2':6.7-coumarin]; A1783/0075596; KBio1_000763; |
C12H8O4 |
216.19 |
COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2 |
|
TCMBANKIN061831 |
tamgeretin |
CHEBI:9400; AI3-23869; BDBM50209218; SR-05000002625; NSC-53909; AC1L28ZE; NSC-618905; SMR001557394; LS-39784; UNII-I4TLA1DLX6; AB0010469; BRD-K25186396-001-02-1; 4H-1-Benzopyran-4-one, 5,6,7,8-tetra-methoxy-2-(4-methoxyphenyl)-; 481T538; SC-46059; AIDS035256; tangeretin(6ci); NCI60_004330; GA2100; BG01660437; SCHEMBL19740; Tangeretin, analytical standard; Tangeretin (6CI); Flavone, 4',5,6,7,8-pentamethoxy- (7CI,8CI); 2-(4-Methoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; ACon1_001263; 4H-1-Benzopyran-4-one, 2-(4-methoxyphenyl)-5,6,7,8-tetramethoxy-; Spectrum2_001698; CC-34639; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one; Tangeretin, >=95% (HPLC); 4',5,6,7,8-pentamethoxy-flavone; C20H20O7; I06-0225; MFCD00017438; KBio3_001900; AC-1699; CHEMBL73930; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one; AKOS015895209; Spectrum4_001019; 4H-1-Benzopyran-4-one,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-; AIDS-035256; Flavone, 5,6,7,8,4'-pentamethoxy; AN-14690; NSC618905; Flavone, 4',5,6,7,8-pentamethoxy-; CT0015; HY-N0133; CU-01000013437-2; Tangeretin; ST097546; N2077; SR-05000002625-1; CCG-38782; NCGC00095850-01; MLS002667634; 4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-; KBioGR_001517; FT-0632194; MEGxp0_001011; ZINC1531699; Spectrum3_000920; Pentamethoxyflavone; 4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(p-methoxyphenyl)-; EINECS 207-570-1; C10190; 4H-1-Benzopyran-4-one,6,7,8-tetramethoxy-2-(p-methoxyphenyl)-; Q-100525; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromone; 481-53-8; 4'',5,6,7,8-pentamethoxyflavone; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4-chromenone; SDCCGMLS-0066766.P001; SPECTRUM1505269; Tangeritin; 5,6,7,8,4''-Pentamethoxyflavone; CJ-24106; 5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4-benzopyrone; AC1Q6AJM; NSC 53909; C-21181; BC216326; 5,6,7,8,4'-Pentamethoxyflavone; s2363; AS-11637; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one; HMS3651A22; CS-5484; I4TLA1DLX6; DTXSID30197417; 5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 9CI; NCGC00095850-02; NSC53909; Ponkanetin; MCULE-1727108016; NCGC00169520-01; ULSUXBXHSYSGDT-UHFFFAOYSA-N; LMPK12111443; Tangeretin (Tangeritin); BRN 0351695; 5-18-05-00491 (Beilstein Handbook Reference); 4',5,6,7,8-Pentamethoxyflavone; K-9174; ST51052717; MolPort-001-741-167; Flavone,5,6,7,8-pentamethoxy-; SPBio_001656 |
C20H20O7 |
372.37 |
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC |
|
TCMBANKIN061849 |
1-methoxy-4-(2-propenyl)-benzene |
4-Allylanisole;estragole;esdragol;Terragon;methylchavicol;CCRIS 1317; MolPort-000-156-967; MFCD00008653; Estragol (methylchavicol); DSSTox_CID_575; Anisole, p-allyl-; Esdragol; 1-allyl-4-methoxy-benzene; DTXSID0020575; 4-allylanisol; Methyl chavicole (estragole); p-Methoxyallylbenzene; Benzene, 1-methoxy-4-(2-propen-1-yl)-; NCGC00091434-01; chavicyl methylether; CTK7A3557; Methyl chavicole; UNII-9NIW07V3ET; Estragol; SR-01000838348; 4-06-00-03817 (Beilstein Handbook Reference); Ether, p-allylphenyl methyl; NSC 404113; Tarragon; 140-67-0; DSSTox_RID_75667; O080; Chavicol methyl ether; Benzene, 1-methoxy, 4-prop-2-enyl; AK109291; FEMA No. 2411; p-Allylphenyl methyl ether; p-allylanisole, 4-allyl-1-methoxybenzene, methyl chavicol; Chavicol, O-methyl-; NSC-404113; CHEMBL470671; CCG-214642; 4-Allylanisole, analytical standard; FEMA 2411; 1-METHOXY-4-(2-PROPENYL)BENZENE; FEMA Number 2411; EPA Pesticide Chemical Code 062150; 4-Allylmethoxybenzene; Benzene, 1-methoxy-4-(2-propenyl)-; HMS2268E24; SMR000112379; p-Allylanisole; SPECTRUM1505117; 1-methoxy-4-(prop-2-en-1-yl)benzene; Chavicyl methyl ether; chavicol methylether; C10452; NCI-C60946; Allylphenyl methyl ether, p-; estragon;p-allylanisole; EINECS 205-427-8; AI3-16052; Esteragol; ZINC967635; 4-Allylanisole, purum, >=97.0% (GC); CHEBI:4867; 1407-27-8; Estragole (natural); NCGC00259936-01; MLS001065575; 1-methoxy-4-prop-2-enylbenzene; Methyl chavicol; AC1Q4FE9; 1-Methoxy-4-(2-propen-1-yl)-Benzene; Methylchavicol; Chavicol, methyl-; p-Allyl-Anisole; ACMC-1BW75; KB-36193; 3-(p-Methoxyphenyl)propene; 1-methoxy-4-(2-propenyl)-benzene; InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H; AKOS000121300; p-Allylmethoxybenzene; Methyl-Chavicol; AC1L1RR7; Tox21_302930; 3-(4-Methoxyphenyl)-1-propene; ST50824126; BRN 1099454; Isoanthethole; LS-821; Esdragon; ZFMSMUAANRJZFM-UHFFFAOYSA-N; I01-10181; Estragole, analytical standard; 9NIW07V3ET; O-Methyl-Chavicol; Terragon; 4-Allyl-1-methoxybenzene; BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL; HSDB 5412; 4-Allylanisole, 98%; Chavicyl methyl ether; AN-17349; 1-Methoxy-4-(2-propenyl)benzene, 9CI; A0702; 4-Allylanisole; para-allylanisole; AC1Q4CFH; SCHEMBL57204; WLN: 1U2R DO1; SR-01000838348-2; FT-0617414; J-007415; NCGC00091434-02; TC-109325; CAS-140-67-0; isoanethole, 4-Allylanisole; ANW-20580; 4-Methoxyallylbenzene; Tox21_202387; Estragole; NSC404113; Esdragole; 77525-18-9; AJ-24538; DSSTox_GSID_20575; NCGC00091434-03; Para-allylanisole (estragole); ZB015470; BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL; 1-Allyl-4-methoxybenzene; NCGC00256481-01; 4-Allylanisole, >=98%, FCC; 1-Methoxy-4-(2-propen-1-yl)benzene; Isoanethole;34098_RIEDEL; 3-(p-Methoxyphenyl)propene; InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H; 1-METHOXY-4-(2-PROPENYL)BENZENE; Anisole, p-allyl-; EPA Pesticide Chemical Code 062150; 1-allyl-4-methoxy-benzene; Esdragol; FEMA Number 2411; p-Allylmethoxybenzene; NCGC00091434-02; 4-Allylmethoxybenzene; Benzene, 1-methoxy-4-(2-propenyl)-; p-Methoxyallylbenzene; 4-Methoxyallylbenzene; BRN 1099454; WLN: 1U2R DO1; SPECTRUM1505117; p-Allylanisole; LS-821; Esdragon; NCGC00091434-01; Estragol; Chavicyl methyl ether; C10452; Estragole; 4-06-00-03817 (Beilstein Handbook Reference); NSC404113; Esdragole; NCI-C60946; NSC 404113; 77525-18-9; 4-Allyl-1-methoxybenzene; Tarragon; 140-67-0; Allylphenyl methyl ether, p-; HSDB 5412; EINECS 205-427-8; ZINC00967635; AI3-16052; Isoanethole; 1-methoxy-4-prop-2-enyl-benzene; A29208_ALDRICH; 05820_FLUKA; Chavicol methyl ether; 05818_FLUKA; BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL; 1407-27-8; W241105_ALDRICH; Estragole (natural); 1-Allyl-4-methoxybenzene; FEMA No. 2411; 4-Allylanisole; 1-Methoxy-4-(2-propen-1-yl)benzene; Chavicol, O-methyl-; 1-methoxy-4-prop-2-enylbenzene; Methyl chavicol; Methylchavicol |
C10H12O |
148.2 g/mol |
COC1=CC=C(C=C1)CC=C |
|
TCMBANKIN061861 |
m-Anisaldehyde |
3-Methoxybenzaldehyde; W513105_ALDRICH; 4-08-00-00241 (Beilstein Handbook Reference); 591-31-1; CCRIS 960; Metamethoxybenzaldehyde; 129658_ALDRICH; 3-Anisaldehyde; AI3-52556; m-Methoxybenzaldehyde; InChI=1/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H; ST5213433; Benzaldehyde, 3-methoxy-; BRN 0606013; 64780_FLUKA; NSC43794; NSC 43794; ZINC01676373; EINECS 209-712-8 |
C8H8O2 |
136.15 |
COC1=CC=CC(=C1)C=O |
|
TCMBANKIN061936 |
dimethyl sulfone |
RL04588; AC1L1M1F; CHEBI:9349; C2H6O2S; M1239; NSC63345; 74380-EP2371800A1; Dimethyl sulfone, 98%; MolPort-003-666-648; Dimethyl sulfone, Standard for quantitative NMR, TraceCERT(R); InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H; ACMC-209o0h; Sulfonylbis-methane; KSC352Q8H; Methane, sulfonylbis-; AN-23767; TR-022731; 54841-73-5; Sulfone, dimethyl-; CJ-12200; BDBM50026473; NCGC00357027-01; sulfonyldimethane; ANW-35391; Methylsulfonylmethane, United States Pharmacopeia (USP) Reference Standard; DMSO2; 90984-EP2305248A1; UNII-9H4PO4Z4FT; TL8004770; 9H4PO4Z4FT; FT-0625160; NSC 63345; KB-50116; DSSTox_GSID_43937; Methylsulfonyl methane; MolMap_000019; I09-1058; A835859; SPECTRUM1505358; DB-050533; methy sulfone; 74380-EP2270002A1; HHVIBTZHLRERCL-UHFFFAOYSA-N; CAS-67-71-0; NE10495; Methylsulfonylmethane; C11142; RTR-022731; Sulfonylbismethane; EN300-79559; TRA0007185; AKOS015897615; 2-Thiapropane2,2-dioxide; Methyl sulfone; LS-90358; 90984-EP2280012A2; METHYL SULFONYL METHANE; M0509; CTK2F2883; Dimethyl sulfone; dimethylsulphone; Ambap67-71-0; 74380-EP2371798A1; Z417007936; 74380-EP2371797A1; ZINC4658606; MFCD00007566; Dimethyl sulphone; 162163-EP2281815A1; 74380-EP2269993A1; KS-00000V5O; CCG-214558; MCULE-3320409932; 74380-EP2308857A1; DSSTox_CID_23937; AI3-25306; EINECS 200-665-9; 74380-EP2371804A1; METHANESULFONYLMETHANE; methyl sulfonmethane; Opti MSM; NCGC00095990-01; CCRIS 2938; DIMETHYLSULFONE; CHEMBL25028; 67-71-0; Sulphonylbismethane; F0001-1776; (methylsulphonyl)methane; NSC-63345; DTXSID4043937; Tox21_303712; (methylsulfonyl)methane; Lignisul MSM; methylsulfone; dimethylsulfon; Methane, 1,1'-sulfonylbis-; Methylsulfonylmethane, Pharmaceutical Secondary Standard; Certified Reference Material;mesylmethane;Methylsulfonylmethane; sulfonyldimethane; CHEBI:9349; sulphonylbismethane; C11142; NSC63345; Sulfonylbismethane; NSC 63345; InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H; M81705_ALDRICH; Methylsulfonyl methane; Methyl sulfone; AI3-25306; EINECS 200-665-9; MolMap_000019; NCGC00095990-01; 41631_FLUKA; CCRIS 2938; DIMETHYLSULFONE; Methane, sulfonylbis-; SPECTRUM1505358; 67-71-0; 54841-73-5; Dimethyl sulfone; ZINC04658606; Methyl sulfone (8CI); Dimethyl sulphone |
C2H6O2S |
94.14 g/mol |
CS(=O)(=O)C |
滇IICP备16009434号-1 |
Dai SX Lab