TCMBANKIN000448 |
9-Ethoxyaristolactone |
122739-10-0; 5H-Furo(4',3',2':1,10)phenanthro(3,4-d)-1,3-dioxol-5-one, 7-ethoxy-8-methoxy-; 9-Ethoxy-aristololactone |
C19H14O6 |
338.31 |
CCOC1=C2C3=C(C4=C1C(=CC=C4)OC)C5=C(C=C3C(=O)O2)OCO5 |
TCMBANKIN005828 |
Palmitone |
AC1L3ST0; ST51047368; HEBTRIACONTANONE; MFCD00059222; AK162853; AI3-22025; EINECS 207-952-8; C-46470; 502-73-8; C08379; palmitone; MolPort-003-906-056; FT-0736780; Hentricontan-16-one; GR7I8IC3NO; Pentadecyl ketone; I14-101307; NSC-953; 16-HEBTRIACONTANONE; LMFA12000005; ZINC8221066; 16-Hentriacontanone; NSC953; CHEBI:5658; UNRFDARCMOHDBJ-UHFFFAOYSA-N; CTK1H0612; ACMC-1AU7I; Hentriacontan-16-one; UNII-GR7I8IC3NO; AKOS024390969; DTXSID00198239; SBB061344; SCHEMBL352951; Dipentadecyl ketone; ANW-30948; TC-119693; MCULE-1539628749; NSC 953 |
C31H62O |
450.82 |
CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC |
TCMBANKIN011097 |
(1R,2R,4E,6S,9R)-6-hydroxy-2-isopropenyl-5-methyl-11-oxabicyclo[7.2.1]dodec-4-en-10-one |
(1R,2R,4E,6S,9R)-6-hydroxy-5-methyl-2-prop-1-en-2-yl-11-oxabicyclo[7.2.1]dodec-4-en-10-one |
|
250.37 |
|
TCMBANKIN016764 |
6-Methoxy aurapten |
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxychromen-2-one; (E)-7-((3,7-Dimethyl-2,6-octadienyl)oxy)-6-methoxy-2H-1-benzopyran-2-one; 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxy-2-chromenone; 2H-1-Benzopyran-2-one, 7-((3,7-dimethyl-2,6-octadienyl)oxy)-6-methoxy-, (E)-; 6-methoxy aurapten; 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxy-chromen-2-one; 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxy-coumarin; 28587-43-1 |
C20H24O4 |
328.4 |
CC(=CCCC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)OC)C)C |
TCMBANKIN027154 |
dipterocarpol hydroxy-dammarenone ii |
|
|
|
|
TCMBANKIN027181 |
Mellitene |
NSC3838; 1,2,3,4,5,6-hexamethylbenzene; InChI=1/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H; 87-85-4; Hexamethylbenzol; ST5406368; CHEBI:39001; 322377_ALDRICH; EINECS 201-777-0; AI3-03275; Hexamethylbenzene; 52611_FLUKA; 429082_ALDRICH; WLN: 1R B1 C1 D1 E1 F1; 46010-49-5; NSC 3838; BENZENE,HEXAMETHYL; Benzene, hexamethyl- |
C12H18 |
162.27 |
CCCCC(CC)COC(=O)N |
TCMBANKIN027220 |
dryobalanone |
AC1NSUZ7; (8R,10R,13R)-17-[(2R)-1,2-dihydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
C30H50O3 |
458.72 |
CC(=CCCC(CO)(C1CCC2(C1CCC3C2(CCC4C3(CCC(=O)C4(C)C)C)C)C)O)C |
TCMBANKIN028370 |
(R)-Allantoin |
CHEBI:15677; InChI=1/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11; [(4R)-2,5-diketoimidazolidin-4-yl]urea; (R)(-)-Allantoin; C02348; N-[(4R)-2,5-dioxoimidazolidin-4-yl]urea; [(4R)-2,5-dioxo-4-imidazolidinyl]urea; (R)-(-)-allantoin; ZINC00901026; urea, N-(2,5-dioxo-4-imidazolidinyl)-; [(4R)-2,5-dioxoimidazolidin-4-yl]urea |
C4H6N4O3 |
158.12 |
C1(C(=O)NC(=O)N1)NC(=O)N |
TCMBANKIN036800 |
erythrodiol |
AKOS032948355; (3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol; Olean-12-ene-3beta,28-diol; erythro-diol; (3beta)-Olean-12-ene-3,28-diol; erythrodiol ; (4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol; A830234; 545-48-2; EINECS 208-890-4; Erythrodiol; (3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol; 09258_FLUKA |
C30H50O2 |
443 |
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C([H])([H])O[H])C([H])([H])C3([H])[H])[C@
@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])O[H] |
TCMBANKIN041272 |
stearic acid |
4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 |
C18H36O2 |
284 |
C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=
O |
TCMBANKIN041321 |
7-Methoxy-aromadendrin |
7-methoxy-aromadendrin |
C17H14O6 |
314.289 |
c12c(O[C@@]([H])(c3c([H])c([H])c(O[H])c([H])c3[H])[C@]([H])(O[H])C1=O)c([H])c(C(=O)C([H])([H])[H])c([H])c2O[H] |
TCMBANKIN044216 |
Neobavachalcone |
4-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-methoxybenzaldehyde; neobavachalcone; 4-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-methoxy-benzaldehyde; 4-hydroxy-5-[(E)-3-(4-hydroxyphenyl)acryloyl]-2-methoxy-benzaldehyde; 4-hydroxy-5-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]-2-methoxybenzaldehyde |
|
298.29 g/mol |
|
TCMBANKIN044356 |
8-beta-Ethoxy atractylenolide III |
8-beta-ethoxy atractylenolide iii |
|
290.44 |
|
TCMBANKIN045804 |
aristolactone |
|
C15H20O2 |
232.32 |
CC1=CCCC2=CC(C(CC1)C(=C)C)OC2=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-] |
TCMBANKIN058761 |
(E)ocimene |
(E)- ocimene; (E)-ocimene;p-Ocimene;3,7-Dimethyl-1,3,6-octatriene;trans-ocimene;trans- beta- Ocimene;ocimene;β-trans-ocimene;3,7-dimethyl-1,3e,6-octatriene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;trans-β-Oci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;ci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene |
C10H16 |
136.23 g/mol |
CC(=CCC=C(C)C=C)C |
TCMBANKIN059409 |
mollislactone |
|
C15H20O2 |
232.32 |
CC=C1C2=CCCC=C(CCCC2OC1=O)C |
TCMBANKIN059527 |
(+)-Camphene |
|
C10H16 |
136.23 g/mol |
CC1(C2CCC(C2)C1=C)C |
TCMBANKIN059532 |
(1R)-1, 7, 7-trimethyl-bicyclo[2.2.1]heptan-2-one |
|
C10H16O |
152.23 g/mol |
CC1(C2CCC1(C(=O)C2)C)C |
TCMBANKIN060016 |
Aristoloterpenate |
|
C32H31NO8 |
557.6 g/mol |
CC1=CCCC(=CC(CC(=CCC1)C)OC(=O)C2=CC3=C(C4=C5C=CC=C(C5=CC(=C24)[N+](=O)[O-])OC)OCO3)C=O |
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 |
TCMBANKIN061091 |
stearic acid |
|
CH3(CH2)16COOH |
284.5 g/mol |
CCCCCCCCCCCCCCCCCC(=O)O |
TCMBANKIN061151 |
triacontanol |
|
C30H62O |
438.81 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
TCMBANKIN061272 |
9-Ethoxyaristololactam |
|
C19H15NO5 |
337.33 g/mol |
CCOC1=C2C3=C(C4=C1C(=CC=C4)OC)C5=C(C=C3C(=O)N2)OCO5 |
TCMBANKIN061561 |
vanillic acid |
CJ-02984; CHEBI:16632; Vanillate; CHEBI:30816; H36001_ALDRICH; InChI=1/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11; BRN 2208364; WKOLLVMJNQIZCI-UHFFFAOYSA-M; 94770_FLUKA; WLN: QVR DQ CO1; MLS000574833; Acide vanillique; vanillicacid; C06672; m-Anisic acid, 4-hydroxy-; VA (VAN); vanil-lic acid; 4-Hydroxy-3-methoxybenzoic acidion; 4-Hydroxy-3-methoxybenzoic acid; Protocatechuic acid, 3-methyl ester; NSC3987; NSC 674322; DB02130; VANILLIC ACID; p-Vanillic acid; NSC 3987; ZB010900; 4-Hydroxy-3-methoxybenzoate; AIDS-018089; p-Hydroxy-m-methoxy-benzonic acid; 3-Methoxy-4-hydroxybenzoic acid; 4-hydroxy-3-methoxy-benzoic acid; NSC674322; 6746-48-1; 121-34-6; AC1L2LVA; Benzoic acid, 4-hydroxy-3-methoxy-; AI3-19542; SMR000156289; AIDS018089; SBB008280; W398802_ALDRICH; EINECS 204-466-8; 4-hydroxy-3-methoxy benzoic acid; 3-methoxy-4-hydroxybenzoic acid |
C8H8O4 |
168.15 g/mol |
COC1=C(C=CC(=C1)C(=O)O)O |
TCMBANKIN061729 |
7-o-methylaromadendrin |
aromadendrin-7-monomethyl ether;7-Methoxy-aromadendrin;7-methoxy-aromadendrin |
C16H14O6 |
|
COC1=CC(=C2C(=C1)OC(C(C2=O)O)C3=CC=C(C=C3)O)O |
TCMBANKIN061806 |
aristolochicacid iva |
aristolochic acid Ⅳa; aristolochic acid D;Aristoloside_qt |
C17H11NO8 |
357.27g/mol |
COC1=CC(=CC2=C3C(=C(C=C12)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O)O |
TCMBANKIN061875 |
Aristololactum |
13395-02-3; NSC 87406; 4-27-00-06628 (Beilstein Handbook Reference); BRN 0307971; Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one, 8-methoxy-; NSC87406; Aristolactam I; ARISTOLOLACTAM; CCRIS 1545; aristolactam i; Aristolactam |
C17H11NO4 |
293.27g/mol |
COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC5=C3OCO5 |