|
TCMBANKIN000100 |
lauric acid |
NCGC00090919-01; CHEBI:30805; n-Dodecanoic acid; Hydrofol acid 1255; Wecoline 1295; Neo-Fat 12-43; 8045-27-0; WLN: QV11; AI3-00112; AIDS-049202; 61609_FLUKA; Dodecylcarboxylate; DAO; EINECS 205-582-1; L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL; CCRIS 669; W261408_ALDRICH; lauric acid ; 8000-62-2; DODECANOIC ACID (LAURIC ACID); C-1297; 7632-48-6; ST023796; NSC5026; Laurinsaeure; C02679; [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM; Dodecoic acid; Laurostearic acid; NCGC00090919-02; 4-02-00-01082 (Beilstein Handbook Reference); lauricacid; Ninol AA62 extra; InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14; Lauric acid (natural); Aliphat No. 4; NSC-5026; Coconut oil fatty acids; Lauric acid, pure; 203714-07-2; NCIOpen2_009480; CH3-[CH2]10-COOH; Dodecylic acid; Neo-Fat 12; AIDS049202; C12 fatty acid; HSDB 6814; Dodecanoic acid; L556_ALDRICH; Lauric acid; LAP; Univol U-314; FEMA No. 2614; 1-Undecanecarboxylic acid; Vulvic acid; 143-07-7; BRN 1099477; Duodecylic acid; LAU; W261416_ALDRICH; LMFA01010012; L4250_SIGMA; Hydrofol acid 1295 |
C12H24O2 |
200.32 |
CCCCCCCCCCCC(=O)O |
|
TCMBANKIN000288 |
(1R,2R,4R)-Dihydrocarveol |
(1R,2R,5R)-5-Isopropenyl-2-methylcyclohexanol; LMPR01020079; (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol; (1R,2R,5R)-5-isopropenyl-2-methyl-1-cyclohexanol; (−)-Dihydrocarveol; C11396; (1R,2R,5R)-5-isopropenyl-2-methyl-cyclohexan-1-ol; 37278_FLUKA; (1R,2R,5R)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-ol |
C10H18O |
154.25 |
CC1CCC(CC1O)C(=C)C |
|
TCMBANKIN000653 |
ningposide a |
|
C18H22O9 |
382.4 g/mol |
CC1C(C(C(C(O1)O)OC(=O)C=CC2=CC(=C(C=C2)O)OC)OC(=O)C)O |
|
TCMBANKIN000814 |
(5S)-5-butyloxolan-2-one |
(5S)-5-butyltetrahydrofuran-2-one; (5S)-5-butyl-2-tetrahydrofuranone; ZINC03860659 |
C8H14O2 |
142.2 |
CCCCC1CCC(=O)O1 |
|
TCMBANKIN001112 |
Diepicedrene-1-oxide |
|
C15H24O |
220.35 g/mol |
CC1CCC2C13CC(C2(C)C)C(C4C3O4)C |
|
TCMBANKIN001325 |
2-[(1R)-4-methyl-1-cyclohex-3-enyl]propan-2-yl acetate |
acetic acid [1-methyl-1-[(1R)-4-methyl-1-cyclohex-3-enyl]ethyl] ester; 2-[(1R)-4-methyl-1-cyclohex-3-enyl]propan-2-yl ethanoate; [1-methyl-1-[(1R)-4-methyl-1-cyclohex-3-enyl]ethyl] acetate |
C12H20O2 |
196.29 |
|
|
TCMBANKIN002215 |
geranyl propionate |
Geranyl n-propanoate; (2E)-3,7-Dimethyl-2,6-octadienyl propionate; 27751-90-2; Geranyl propionate (natural); Geranyl propionate, natural; DTXSID8051540; SCHEMBL356537; BYCHQEILESTMQU-FMIVXFBMSA-N; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate, (2E)-; WE(8:2(2E,6E)(3Me,7Me)/3:0); FEMA No. 2517; Geranylpropionate; SCHEMBL356536; 6124AF; DSSTox_GSID_51540; Geranyl propionate, >95%, FCC, FG; Geranyl propanoate; AC1Q65TJ; EINECS 203-344-1; DB-040663; Geranyl propionate; W251712_ALDRICH; W251704_ALDRICH; 3,7-dimethylocta-2,6-dienyl propanoate; propanoic acid 3,7-dimethylocta-2,6-dienyl ester; Tox21_303994; CAS-105-90-8; Geranyl n-propionate; geranyl-n-propanoate; Trans-3,7-dimethyl-octa-2,6-dien-1-yl propanoate; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate; (E)-3,7-Dimethyl-2,6-octadienyl propionate; LMFA07010614; NSC 46138; 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, PROPANOATE, (E)-; NSC46138; DSSTox_CID_30092; GERANYL PROPIONATE FCC; 3,7-Dimethyl-2,6-octadienyl propionate, (E)-; propanoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester; 3,6-octadien-1-yl, propanoate; AC1NS88V; NCGC00357214-01; AKOS024319239; Propionic acid, geranyl ester; ST5410143; (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL PROPIONATE; NSC-46138; LS-2773; J-525003; UNII-U9F1RPB24G; 3,7-dimethylocta-2,6-dien-1-yl propionate; propionic acid 3,7-dimethylocta-2,6-dienyl ester; (E)-3,7-Dimethyl-2,6-octadien-1-ol propionate; [(2E)-3,7-dimethylocta-2,6-dienyl] propanoate; 3,7-dimethylocta-2,6-dien-1-yl propanoate; ZINC1677808; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (2E)-; propionic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester; (E)-3,7-Dimethyl-2,6-octadien-1-ol propanoate; 2, 3,7-dimethyl-, propanoate; Propionic acid 3,7-dimethyl-2,6-octadienyl ester; 3,7-Dimethyl-2,6-octadien-1-yl, propanoate; Propionic acid, geranyl ester (6CI); CJ-27449; (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate; 2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, (E)-; Geranyl propionate, natural, >=95%, FG; U9F1RPB24G; J-001499; 3,7-Dimethyl-2,6-octadien-1-yl propanoate, trans-; 2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, (E)- (8CI); trans-3,7-Dimethyl-2,6-Octadienyl propionate; AI3-24355; 105-90-8; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate; 3,7-Dimethyl-2,6-octadienyl propanoate, (E)-; trans-3,7-Dimethyl-2,6-octadien-1-yl propionate |
C13H22O2 |
210.31 |
CCC(=O)OCC=C(C)CCC=C(C)C |
|
TCMBANKIN002330 |
citronellyl acetate |
AJ-33256; (-)-3,7-Dimethyloct-6-enyl acetate; 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, (3S)-; UNII-78RZL4H51H; Citronellol acetate, (S)-; (s)-citronellyl acetate; CJ-32447; 67601-05-2; CJ-07629; UNII-IZ420RT3OY component JOZKFWLRHCDGJA-NSHDSACASA-N; ZINC2040946; EINECS 266-767-0; [(3S)-3,7-dimethyloct-6-enyl] acetate; AC1OE5SZ; 6-Octen-1-ol, 3,7-dimethyl-, acetate, (3S)-; (?)-Citronellol acetate; 78RZL4H51H |
C12H22O2 |
198.3 g/mol |
CC(CCC=C(C)C)CCOC(=O)C |
|
TCMBANKIN002787 |
(S)-(+)-alpha-Phellandrene |
C11391; (5S)-2-methyl-5-propan-2-yl-cyclohexa-1,3-diene; (5S)-5-isopropyl-2-methyl-cyclohexa-1,3-diene; (5S)-5-isopropyl-2-methylcyclohexa-1,3-diene; 2243-33-6; (5S)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene |
C10H16 |
136.23 |
CC1=CCC(C=C1)C(C)C |
|
TCMBANKIN003355 |
(3R,4aR,8aR)-3-isopropenyl-5,8a-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene |
(3R,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene |
C15H24 |
204.35 |
|
|
TCMBANKIN003756 |
Methyl allyl sulfide |
methyl allyl sulfide; 1-Propene, 3-(methylthio)-; NCIOpen2_003675; 3-(methylthio)prop-1-ene; 10152-76-8; ZINC02015871; Allyl methyl sulphide; 3-methylsulfanylprop-1-ene; Allyl methyl sulfide; EINECS 233-422-0; CCRIS 7066; A34201_ALDRICH; Sulfide, allyl methyl |
C4H8S |
88.17 |
CSCC=C |
|
TCMBANKIN003861 |
propapyriogeninA2 |
DTXSID20331681; Propapyriogenin A2; C08971; AC1L9BZ8; 72933-74-5; propapyriogenin a2; CHEBI:8484; (4aR,6aR,6aS,6bR,8aR,12aS,13R,14bS)-13-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,10-dioxo-1,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydropicene-4a-carboxylic acid; propapyriogenin A2 |
C30H44O5 |
484.67 |
CC1(CC2C3=CC(C4C5(CCC(=O)C(C5CCC4(C3(CCC2(CC1=O)C(=O)O)C)C)(C)C)C)O)C |
|
TCMBANKIN004087 |
glyoxal |
ZINC8437750; DSSTox_CID_5364; 40094-65-3; SC-19118; MCULE-3212938778; MolPort-001-780-154; Diformyl; F2191-0152; STL146635; NSC-262684; Biformyl; BRN 1732463; RP18241; Glyoxal aldehyde; Glyoxal, 40%; ANW-43524; Ethane-1,2-dione; 57421-EP2308878A2; BB_SC-7204; 57421-EP2269977A2; 57421-EP2270006A1; 4-01-00-03625 (Beilstein Handbook Reference); oxaldehyde; CAS-107-22-2; Ethanedial; Glyoxal solution, 40 wt. % in H2O; 50NP6JJ975; Glyoxylaldehyde; Biformal; FT-0626792; KB-52297; 107-22-2; Glyoxal, 40% in water; J-001740; EC 203-474-9; Oxypolygelatin; NCGC00091228-01; X8004; (CHO)2; NSC 262684; (oxo)acetaldehyde; Protectol GL 40; Aerotex glyoxal 40; AC1Q28J9; Ethanedial, trimer; EINECS 203-474-9; RTR-001406; Glyoxal solution, BioReagent, for molecular biology, ~40% in H2O (~8.8 M); UNII-50NP6JJ975; Glyoxal, 40 % Solution; Glyoxal, 40% w/w aq. soln.; Glycoxal; ODIX; oxypolygelatine; KS-00000V42; MFCD00006957; Glyoxal solution; Gelatins, reaction products with glyoxal, oxidized; ethane dial; Glyoxal solution, 40.0%; Glyfosfin; GLYOXAL; CHEMBL1606435; DTXSID5025364; Tox21_111105; C14448; Glyoxal solution, 40 wt. % in water 100ml; LS-436; 57421-EP2289896A1; Glyoxal solution, CP, 40 wt. % in H2O; Glyoxal, 29.2%; DSSTox_RID_77764; 83513-30-8; AC1L1PPU; NSC262684; 1,2-Ethanedione; oxalic acid dihydride; Tox21_202517; Gelifundol; GLYOXAL, 76%, POWDER (TRIMER); Glyoxal, Biformyl, Oxalaldehyde; Oxalaldehyde; AI3-24108; Glyoxal solutions; Glyoxal solution, ~40% in H2O, for HPLC derivatization; DSSTox_GSID_25364; ACMC-1BV6U; CHEBI:34779; BIDD:ER0284; ethane-1,2-dial; NCGC00260066-01; AN-22473; Glyoxal solution, ~40% in H2O (~8.8 M); LEQAOMBKQFMDFZ-UHFFFAOYSA-N; BBL011519; 57421-EP2377845A1; Diformal; HSDB 497; TR-001406; TRA0067179; S14-1487; C2H2O2; Ethandial; AKOS000119169; Ethanediol, trimer; CTK0H4953; Ethanedione; CCRIS 952; 9005-91-8; G0152 |
C2H2O2 |
58.04 g/mol |
C(=O)C=O |
|
TCMBANKIN004218 |
(1S,4S)-7-isopropylidene-1,4-dimethyl-2,3,4,5,6,8-hexahydro-1H-azulene |
(1S,4S)-1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene |
C15H24 |
204.35 |
|
|
TCMBANKIN004757 |
ZINC00394787 |
|
C6H12O2 |
116.16 |
|
|
TCMBANKIN005092 |
methyl-4-o-methylgallate |
3,5-Dihydroxy-4-methoxybenzoic acid methyl ester; Benzoic acid, 3,5-dihydroxy-4-methoxy-, methyl ester; AC1NSYID; FCH837428; FT-0699716; ZINC14775842; SCHEMBL2728130; Methyl-4-O-methylgallate; ACM24093810; CHEMBL491990; AKOS006283782; CTK0J5233; DTXSID20415758; MFCD00017195; 24093-81-0; AK550949; M2794; methyl 3,5-dihydroxy-4-methoxybenzoate; Benzoic acid,3,5-dihydroxy-4-methoxy,methyl ester |
C9H10O5 |
198.17 g/mol |
COC1=C(C=C(C=C1O)C(=O)OC)O |
|
TCMBANKIN005393 |
acetylborneol |
|
C12H20O2 |
196.29 g/mol |
CC(=O)C1(CC2CCC1(C2(C)C)C)O |
|
TCMBANKIN005520 |
terinen-4-ol |
|
C10H18O |
|
|
|
TCMBANKIN005653 |
Glypallichalcone |
(E)-3-(4-hydroxy-2-methoxy-phenyl)-1-(4-methoxyphenyl)prop-2-en-1-one; 2-Propen-1-one, 3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)-, (E)-; (E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one; 4-Hydroxy-2,4'-dimethoxychalcone; AC1NSW0O; glypallichalcone; 4-Hydroxy-2,4/'-dimethoxychalcone; LMPK12120432; 146763-58-8 |
C17H16O4 |
284.31 |
COC1=CC=C(C=C1)C(=O)C=CC2=C(C=C(C=C2)O)OC |
|
TCMBANKIN005740 |
(-)-Citronellal |
(S)-(-)-Citronellal; ZINC01532245; C11384; (S)-3,7-Dimethyloct-6-enal; (3S)-3,7-dimethyloct-6-enal; (S)-3,7-dimethyl-6-octenal; LMPR01020075; (−)-Citronellal; (S)-(−)-Citronellal; nchembio882-comp8; 5949-05-3; 27468_FLUKA; CHEBI:368; (3S)-3,7-dimethyl-6-octenal; 373753_ALDRICH |
C10H18O |
154.25 g/mol |
CC(CCC=C(C)C)CC=O |
|
TCMBANKIN005793 |
Mesotrihydroxypiperidine |
mesotrihydroxypiperidine |
C5H11NO3 |
133.15 |
|
|
TCMBANKIN006100 |
methyl guaia-1(10),11-dien-15-carboxylate |
AC1NSYF1; methyl 1-methyl-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroazulene-4-carboxylate |
|
|
CC1CCC2=C(CCC(CC12)C(=C)C)C(=O)OC |
|
TCMBANKIN006130 |
cis-p-2-menthen- 1-ol |
4beta-tert-Butyl-2-cyclohexen-1beta-ol; (1R,4S)-4-tert-butyl-1-cyclohex-2-enol; (1R,4R)-1-methyl-4-propan-2-yl-cyclohex-2-en-1-ol; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4R)-rel-; (1R,4R)-4-isopropyl-1-methyl-cyclohex-2-en-1-ol; cis-1-Methyl-4-(1-methylethyl)-2-cyclohexen-1-ol; (1R,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol; cis-p-2-menthen-1-ol; (1R,4R)-4-isopropyl-1-methyl-1-cyclohex-2-enol; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, cis-; cis-p-2-Menthen-1-ol; cis-4-(Isopropyl)-1-methylcyclohex-2-en-1-ol; EINECS 249-860-0; AC1O5388; (1R,4S)-4-tert-butylcyclohex-2-en-1-ol; NGXNAIZTJAUMGV-BDAKNGLRSA-N; 29803-82-5 |
C10H18O |
154.25 g/mol |
CC(C)C1CCC(C=C1)(C)O |
|
TCMBANKIN006689 |
(3r,5s)-3-acetoxy-5-hydroxy-1,7-bis(4-hy-droxy-3-methoxyphenyl)heptane |
|
C23H30O7 |
|
|
|
TCMBANKIN007562 |
1-(4-hydroxy-3-methoxyphenyl)-3,5-octane-diol |
1-(4-hydroxy-3-methoxyphenyl)octane-3,5-diol; AC1NSWME |
C15H24O4 |
|
CCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O |
|
TCMBANKIN007637 |
(1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane |
(1S,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane |
C10H16 |
136.23 g/mol |
CC(C)C12CCC(=C)C1C2 |
|
TCMBANKIN007684 |
4-ethyl-Tetradecane |
|
C16H34 |
226.44 |
CCCCCCCCCCC(CC)CCC |
|
TCMBANKIN007963 |
caranine |
|
C16H17NO3 |
271.31 g/mol |
C1CN2CC3=CC4=C(C=C3C5C2C1=CCC5O)OCO4 |
|
TCMBANKIN008183 |
ethylisopropyl sulfide |
|
C5H12S |
104.22 g/mol |
CCSC(C)C |
|
TCMBANKIN008212 |
9-Octadecenoic acid (Z)-, 3-((6-O-alpha-D-galactopyranosyl-beta-D-galactopyranosyl)oxy)-2-hydroxypropyl ester, (S)- |
35949-86-1; (Z)-octadec-9-enoic acid [(2R,4R,5S,6R)-3,3,4,5-tetrahydroxy-2-propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-4-yl] ester; (Z)-octadec-9-enoic acid [(2R,4R,5S,6R)-3,3,4,5-tetrahydroxy-2-propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-4-tetrahydropyranyl] ester; [(2R,4R,5S,6R)-3,3,4,5-tetrahydroxy-2-propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] (Z)-octadec-9-enoate; [(2R,4R,5S,6R)-3,3,4,5-tetrahydroxy-2-propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-4-yl] (Z)-octadec-9-enoate |
C33H60O14 |
680.82 |
CCCCCCCCC=CCCCCCCCC(=O)OC1(C(C(OC(C1(O)O)OCCC)COC2C(C(C(C(O2)CO)O)O)O)O)O |
|
TCMBANKIN008312 |
ISOPULEGOL |
59770_FLUKA; ZINC02558675; (1R,2S,5R)-2-isopropenyl-5-methyl-1-cyclohexanol; W296236_ALDRICH; W296228_ALDRICH; ZINC12153978; 50373-36-9; I28003_ALDRICH; 439061_ALDRICH; (1)-(1alpha,2beta,5alpha)-5-Methyl-2-(1-methylvinyl)cyclohexan-1-ol; EINECS 256-557-7; (?)-Neoisoisopulegol; SCHEMBL8818931; (−)-Isopulegol; 59905-53-2; (1R,2S,5R)-2-isopropenyl-5-methyl-cyclohexan-1-ol; (1R,2S,5R)-2-Isopropenyl-5-methylcyclohexanol; NSC1263; (1R,3R,4S)-p-Menth-8-en-3-ol; Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)-rel-; isopulegol; (1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol; (1R,2S,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-ol |
C10H18O |
154.25 |
CC1CCC(C(C1)O)C(=C)C |
|
TCMBANKIN009023 |
gingerglycolipid)A |
|
C33H56O14 |
676.79 |
|
|
TCMBANKIN009801 |
Safynol |
safynol; AC1O5XQ1; LMFA05000697; C08458; (2R,3E,11E)-3,11-Tridecadiene-5,7,9-triyne-1,2-diol; 27978-14-9; (2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol; (2S,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol |
C13H12O2 |
200.23 |
CC=CC#CC#CC#CC=CC(CO)O |
|
TCMBANKIN009979 |
Dimethyldiethoxysilane |
BRN 1736110; Diethoxy(dimethyl)silane; NSC 77085; diethoxy-dimethyl-silane; diethoxy-dimethylsilane; 175595_ALDRICH; Dimethyl-diethoxysilan [Czech]; 202756-41-0; Diethoxydimethylsilane; 40120_FLUKA; 78-62-6; Dimethyldiethoxysilane [UN2380] [Flammable liquid]; InChI=1/C6H16O2Si/c1-5-7-9(3,4)8-6-2/h5-6H2,1-4H; Dimethyl-diethoxysilan; CCRIS 1321; EINECS 201-127-6; NSC77085; Silane, diethoxydimethyl-; KBE 22; Dimethylsilicondiethoxide; UN2380; SILANE,DIETHOXY,DIMETHYL; WLN: 2O-SI-1&1&O2; 4-04-00-04101 (Beilstein Handbook Reference) |
C6H16O2Si |
148.28 |
CCO[Si](C)(C)OCC |
|
TCMBANKIN010290 |
coprine |
2-amino-5-[(1-hydroxycyclopropyl)amino]-5-oxopentanoic acid; AC1NAMAQ; 2-amino-4-[(1-hydroxycyclopropyl)carbamoyl]butanoic acid; L-coprine |
C8H14N2O4 |
202.21 g/mol |
C1CC1(NC(=O)CCC(C(=O)O)N)O |
|
TCMBANKIN011202 |
2-carbamoyl-3-hydroxy-1,4-naphthoquinone |
|
C11H7NO4 |
217.18 g/mol |
C1=CC=C2C(=C1)C(=C(C(=O)C2=O)C(=O)N)O |
|
TCMBANKIN011216 |
methoxycinnamic acid |
|
C10H10O3 |
178.18 g/mol |
COC(=CC1=CC=CC=C1)C(=O)O |
|
TCMBANKIN011218 |
nervogenic acid |
AK241791; BG00981930; Benzoic acid,4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)-; W2000; AC1NSZ3S; 4-hydroxy-3,5-bis(3-methylbut-2-enyl)benzoic acid; nervogenicacid; MolPort-035-706-130; Nervogenic acid; ZINC14444484; 4-Hydroxy-3,5-bis(3-methylbut-2-en-1-yl)benzoic acid; CHEMBL500669; 17622-86-5; AKOS027276419 |
C17H22O3 |
274.35 g/mol |
CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C(=O)O)C |
|
TCMBANKIN011632 |
ZINC02140511 |
|
C15H24 |
204.35 |
|
|
TCMBANKIN011812 |
()-alpha-Funebrene |
47991_FLUKA; ()-1,7-Diepi-alpha-cedrene |
C15H24 |
204.35 |
|
|
TCMBANKIN012089 |
CYCLODODECENE |
CYCLODODECENE (TRANS); Cyclododecene,c&t; 1501-82-2; Cyclododecene, mixture of cis and trans; 1129-89-1; (11Z)-cyclododecene; cyclododecene, (1Z)-; InChI=1/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1; C97601_ALDRICH; ST5406269; EINECS 216-117-7; (1Z)-cyclododecene; Cyclododecene, (Z)-; Cyclododecene; (Z)-Cyclododecene |
C12H22 |
166.3 |
C1CCCCCC=CCCCC1 |
|
TCMBANKIN012300 |
5H-benzocyclohepten-1-ol , 6, 7, 8, 9- |
|
C52H84O22 |
1061.21 |
|
|
TCMBANKIN013168 |
Isoginkgetin |
KBio1_001473; KBio3_002064; BRD-K72661036-001-02-1; CS-5763; KBio2_006022; NCGC00094722-01; Spectrum4_001945; Spectrum5_000819; SDCCGMLS-0066448.P001; 4H-1-Benzopyran-4-one,8-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-; CCG-38579; Spectrum2_000302; Y0114; isoginkgetin ; KBioSS_000886; 2-(4-Methoxyphenyl)-5,7-dihydroxy-8-[2-methoxy-5-(4-oxo-5,7-dihydroxy-4H-1-benzopyran-2-yl)phenyl]-4H-1-benzopyran-4-one; NCGC00094722-02; SPBio_000264; ZINC3197535; CHEBI:79087; 8-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one; Spectrum_000406; HY-N2117; SpecPlus_000433; isoginkgetin; BSPBio_002844; 8-[5-(5,7-dihydroxy-4-oxo-2-chromenyl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-4-chromenone; MolPort-003-665-806; FT-0706639; 8-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromone; SC-20446; KBio2_000886; Spectrum3_001112; BDBM50323203; NCGC00178438-01; KBioGR_002352; AKOS032948383; 8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one; 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one; 548-19-6; 3''',8-Biflavone, 5,5'',7,7''-tetrahydroxy-4',4'''-dimethoxy-; iso-ginkgetin; HUOOMAOYXQFIDQ-UHFFFAOYSA-N; 4',4'''-Dimethylamentoflavone; AC1NSX10; 4CN-1291; 4H-1-Benzopyran-4-one, 8-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl)-5,7-dihydroxy-2-(4-methoxyphenyl)-; DivK1c_006529; 8-(5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl)-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one; DTXSID00203271; KBio2_003454; CHEMBL1208903 |
C32H22O10 |
566.51 |
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)OC |
|
TCMBANKIN013540 |
(1R,4aR,8aS)-1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene |
(1R,4aR,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene |
C15H24 |
204.35 |
|
|
TCMBANKIN013566 |
(3R,6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol |
|
C20H34O |
290.48 |
|
|
TCMBANKIN014599 |
m-methoxycinnamic acid |
AC1NR68K; ZB002768; ST4015246; A840486; AKOS001710552; (2E)-3-(4-methoxyphenyl)prop-2-enoate; CJ-00607; STK870153; A0751/0035071; (E)-3-(4-methoxyphenyl)-2-propenoate; m-methoxycinnamicacid; trans-4-4ethoxycinnamic acid; (E)-3-(4-methoxyphenyl)prop-2-enoate |
C10H9O3- |
177.18 g/mol |
COC1=CC=C(C=C1)C=CC(=O)[O-] |
|
TCMBANKIN014625 |
8-gingediol |
AC1NSVU8; 1-(4-hydroxy-3-methoxyphenyl)dodecane-3,5-diol; SCHEMBL5702659; RLBBNYBPCMIQMG-UHFFFAOYSA-N |
C19H32O4 |
324.5 g/mol |
CCCCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O |
|
TCMBANKIN014697 |
undecanal |
Undecylic aldehyde; U592; n-Undecanal; 2-Undecenal, (2E)-; ZINC1849946; C11 aldehyde; Undecanone, alpha-; AN-20835; KB-176726; FNP3S9MG30; (2E)-undec-2-enal; Undecanal; Undecyl aldehyde; 2463-77-6; U0046; Hendecanaldehyde; Undec-2(E)-enal; trans-2-Undecenal, >=95%, FG; NSC22578; trans-2-Undecen-1-al; UNII-F851M0LYFD component PANBRUWVURLWGY-MDZDMXLPSA-N; n-Undecyl aldehyde; A817413; W309206_ALDRICH; AI3-05098; 53448-07-0; Hendecanal; Aldehyde C-11; 2-Undecenal, trans; MFCD00014680; (E)-Undec-2-enal; RT-004549; AC1NR23M; Undecylaldehyde; UNII-FNP3S9MG30; 1-Undecanal; CHEMBL451328; 2-UNDECENAL; 112-44-7; EINECS 219-564-6; U2202_ALDRICH; RT-001337; C-11 Aldehyde, undecylic; ACM2463776; AI3-36265; Hendecenal; EINECS 203-972-6; FEMA 3423; 2(E)-Undecenal; AN-22318; BRN 1753213; NSC 22578; 2-UNDECENAL (HIGH TRANS); trans-undec-2-enal; EINECS 258-559-3; trans-2-Undecenal; PANBRUWVURLWGY-MDZDMXLPSA-N; CHEBI:132843; UNA; DTXSID9062437; AKOS015901935; WLN: VH10; Undecanal (natural); LMFA06000064; EINECS 215-656-5; UNII-090E982ABR component PANBRUWVURLWGY-MDZDMXLPSA-N; Aldehyde iso C-11; (2E)-UNDEC-2-ENOYL; (e)-2-undecen-1-al; FEMA No. 3092; ZINC585138973; 2-Undecenal, (E)-; (E)-2-undecenal; Undecanaldehyde; 2-Undecenal, E-; (2E)-2-Undecenal; AN-40765; I14-13669; Aldehyde C-11, undecylic; 2-Undecen-1-al; FEMA No. 3423; LMFA06000065 |
C11H22O |
170.29 |
CCCCCCCCCCC=O |
|
TCMBANKIN014790 |
6-acetylholocalin |
|
C16H19NO8 |
|
|
|
TCMBANKIN014793 |
(1S,2S)-2-isopropenyl-4-isopropylidene-1-methyl-1-vinylcyclohexane |
(1S,2S)-2-isopropenyl-4-isopropylidene-1-methyl-1-vinyl-cyclohexane; nchembio.2007.29-comp12; (1S,2S)-1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane; (1S,2S)-1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-yl-cyclohexane |
C15H24 |
204.35 |
|
|
TCMBANKIN014908 |
ZINC00388662 |
|
C12H20O2 |
196.29 |
|
|
TCMBANKIN015178 |
4- guaethol |
|
C11H14O2 |
|
CCOC1=C(C=C(C=C1)C=CC)O |
|
TCMBANKIN015306 |
Dehydroglaucine |
AC1Q4FGT; TimTec1_003612; MCULE-9517315258; NSC708924; 4H-Dibenzo(de,g)quinoline, 5,6-dihydro-1,2,9,10-tetramethoxy-6-methyl-; 5,6-Dihydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo(de,g)quinoline; ZINC01092562; DTXSID30176762; ST048855; 1,2,9,10-tetramethoxy-6-methyl-5,6-dihydro-4h-dibenzo[de,g]quinoline; CTK4E8912; NCGC00142406-01; 4H-Dibenzo[de,g]quinoline,5,6-dihydro-1,2,9,10-tetramethoxy-6-methyl-; HMS1544E04; AC1L9HB7; NCGC00017261-01; MolPort-004-954-691; TNP00164; SCHEMBL14029309; Didehydroglaucine; NSC-708924; ZINC1092562; 22212-26-6; AKOS024281802; dehydroglaucine; NCGC00017261-02; 4,5,15,16-TETRAMETHOXY-10-METHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,8,13,15-HEPTAENE; CHEMBL1412163; NCI60_038488 |
C21H23NO4 |
353.41 |
CN1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC |
|
TCMBANKIN015336 |
6-heptadecenyl salicylic acid |
|
|
374.62 |
|
|
TCMBANKIN015567 |
(1R,3aR,4R,7R)-7-isopropenyl-1,4-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulene |
(1R,3aR,4R,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene |
C15H24 |
204.35 |
|
|
TCMBANKIN016060 |
fenchyl alcohol |
(1R)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol; ZINC968128; UNII-410Q2GK1HF component IAIHUHQCLTYTSF-OYNCUSHFSA-N; Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1R,2R,4S)-; OW0KEP592N; (1R,2R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol; UNII-32Y92U27DU component IAIHUHQCLTYTSF-OYNCUSHFSA-N; AC1Q2CCL; 2-Norbornanol, 1,3,3-trimethyl-, endo-; alpha-Fenchol; J-014563; Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, (1R,2R,4S)-; DSSTox_RID_80144; Ambap1632-73-1; alpha-Fenchyl alcohol, (+)-; 14575-74-7; (+)-Fenchol, analytical standard; DSSTox_CID_24307; (1R-Endo)-fenchol; NCGC00255994-01; (+)-alpha-Fenchol; AC1L1UKL; DTXSID6044307; BG00600801; Fenchyl alcohol, analytical standard; (1R,3R,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol; (1S,3R,4R)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol; UNII-OW0KEP592N; alpha-(+)-Fenchol; Dl-alpha-Fenchol; AC1OE1YY; bmse000495; Fenchyl alcohol, >=96%, FG; FEMA no. 2480, alpha-; DSSTox_GSID_44307; MFCD00003760; alpha-Fenchol, (+)-; Tox21_301348; 2217/2/9; (1R)-endo-(+)-Fenchyl alcohol; FENCHYL ALCOHOL; Fenchylalkohol; CAS-2217-02-9; Fenchyl alcohol, >=96%; AKOS028109357; ()-Fenchol; CHEMBL3188732; (+/-)-alpha-Fenchol; Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, endo-; (1R)-endo-(+)-Fenchyl alcohol, 96%; alpha-Fenchyl alcohol |
C10H18O |
154.25 g/mol |
CC1(C2CCC(C2)(C1O)C)C |
|
TCMBANKIN016269 |
shogasulfonicacid c |
|
C19H22O8S |
410.4 g/mol |
C1=CC(=C(C=C1CCC(CC(=O)CCC2=CC(=C(C=C2)O)O)S(=O)(=O)O)O)O |
|
TCMBANKIN016327 |
6-gingediol-3-acetate |
|
C19H30O5 |
338.44 |
|
|
TCMBANKIN016838 |
diethyl sulfide |
1,1,1,2,2-pentadeuterio-2-ethylsulfanylethane; 1,1,1,2,2-pentadeuterio-2-ethylsulfanyl-ethane; DTXSID80210160; 1-(ETHYLSULFANYL)((2)H?)ETHANE; 61260-04-6; AC1L3NWI; CTK2F6681; Ethyl ethyl-d5 sulfide |
C4H10S |
95.22 g/mol |
CCSCC |
|
TCMBANKIN017142 |
n-butyl allophanate |
butyl allophanate; 3147-85-1; AC1NST73; SCHEMBL4451188; allophanic acid butyl ester; RNXRXBFLIGLDTC-UHFFFAOYSA-N; butyl N-carbamoylcarbamate; n-butyl-allophanate; n-Butyl allophanate |
C6H12N2O3 |
160.17 g/mol |
CCCCOC(=O)NC(=O)N |
|
TCMBANKIN017219 |
Proximadiol |
(1R,4aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol; proximadiol; 55353-16-7; (1R,4aR,7R,8aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-decalin-1-ol; (1R,4aR,7R,8aR)-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1-decalinol; 4666-84-6; 2-Naphthalenemethanol, decahydro-8-hydroxy-alpha,alpha,4a,8-tetramethyl-, (2R-(2alpha,4aalpha,8beta,8abeta))- |
C15H28O2 |
240.38 |
CC12CCCC(C1CC(CC2)C(C)(C)O)(C)O |
|
TCMBANKIN017367 |
galanthamine |
Jilkon hydrobromide; SC-17309; 1,2,3,4,6,7,7a,11c- Octahydro-9- methoxy-2-methyl-benzofuro (4,3,2-efg)(2) benzazocin-6-ol hydrobromide; 1,2,3,4,6,7,7a,11c-Octahydro-9-methoxy-2-methyl-benzofuro (4,3,2-efg)(2) benzazocin-6-ol hydrobromide; SR-01000315928-1; Q-201145; Lycoremine hydrobromide; MolPort-035-394-945; SR-01000315928 |
C17H21NO3 |
287.35 g/mol |
CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O |
|
TCMBANKIN017537 |
3-carbomethoxy-3-hydroxy-glutaric acid |
3-hydroxy-3-methoxycarbonyl-pentanedioic acid; 3-hydroxy-3-methoxycarbonylpentanedioic acid |
C7H10O7 |
206.15 |
|
|
TCMBANKIN017820 |
meso-3,5-diacetoxy-1,7-bis-(4-hydroxy-3-methoxyphenyl)heptane |
|
|
|
|
|
TCMBANKIN018352 |
.alpha.-cis-bergamotene |
(Z)-trans-.alpha.-bergamotene; l-trans-.alpha.-Bergamotene; (1S,5S,7S)-4,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene; bergamotene (Z,.alpha.,trans) |
C15H24 |
204.35 |
CC1=CCC2CC1C2(C)CCC=C(C)C |
|
TCMBANKIN018592 |
(+)-1,5-Epoxy-nor-ketoguaia-11-ene |
(+)-1,5-epoxy-nor-ketoguaia-11-ene; 1,5-Epoxy-14-nor-11-guaien-10-one |
C14H20O2 |
220.31 g/mol |
CC1CCC23C1(O2)CC(CCC3=O)C(=C)C |
|
TCMBANKIN018828 |
shogasulfonicacid a |
shogasulfonic acid a |
C21H26O8S |
438.5 g/mol |
COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC(=C(C=C2)O)OC)S(=O)(=O)O)O |
|
TCMBANKIN019152 |
6-o-acetylhygrophorone b14 |
|
C22H38O5 |
382.5 g/mol |
CCCCCCCCCCCCCCC(C1(C(C=CC1=O)O)O)OC(=O)C |
|
TCMBANKIN019203 |
trans-Verbenol |
EINECS 217-335-5; 1820-09-3; 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol; (1S,2R,5S)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, trans-(-)-; (1alpha,2alpha,5alpha)-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol; EINECS 243-407-0; (1S,2R,5S)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enol; bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-; 18881-04-4; InChI=1/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H; (1S-(1alpha,2alpha,5alpha))-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol; AI3-23135; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1R,2S,5R)-rel-; 1S-cis-Verbenol; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1S,2R,5S)-; ZINC01081109; 19890-02-9 |
C10H16O |
152.23 |
CC1=CC(C2CC1C2(C)C)O |
|
TCMBANKIN019259 |
Neric acid |
C16461; 3,7-dimethylocta-2,6-dienoate; 2,6-Octadienoic acid, 3,7-dimethyl-; W412101_ALDRICH; Nerolic acid; WLN: QV1UY1&3UY1&1; 48813_FLUKA; AIDS228053; SMR000112472; NSC229335; 3,7-Dimethylocta-2,6-dienoic acid; 459-80-3; EINECS 207-299-9; NSC 229335; (2E)-3,7-dimethylocta-2,6-dienoic acid; 2,6-Octadienoic acid, 3,7-dimethyl-, (2E)-; 4698-08-2; 3-02-00-01469 (Beilstein Handbook Reference); Decaprenoic acid; Geranic acid; MLS000516004; 3,7-Dimethyl-2,6-octadienoic acid; 427764_ALDRICH; 3,7-Dimethyl-2,6(and 2,7)-octadienoic acid; AIDS-228053; AI3-12136; BRN 1763804 |
C10H15O2- |
167.22 g/mol |
CC(=CCCC(=CC(=O)[O-])C)C |
|
TCMBANKIN019349 |
2-nonanone |
DTXSID2022125; FEMA No. 2785; 30642-09-2; Tox21_303845; TRA0044632; MFCD00009553; CAS-821-55-6; Heptyl methyl ketone; METHYL HEPTYL KETONE FCC; ACMC-209pnb; ANW-37509; 2- Nonanone; KSC220E7J; FT-0658401; 2-Nonanone, >=99%, FCC, FG; STL146543; 2-Nonanone, natural, >=97%, FCC, FG; N0293; 52000_FLUKA; 2-NONANONE; ST51047545; WLN: 7V1; Methyl heptyl ketone; ZE5K73YN2Z; W278505_ALDRICH; I14-4192; BG00600425; METHYL N-HEPTYL KETONE; KS-000011E9; A840259; NCGC00357115-01; VKCYHJWLYTUGCC-UHFFFAOYSA-N; NONANONE-2; RTR-025712; CHEMBL2228473; Nonanone; BBL011435; W278513_ALDRICH; AN-20502; Nonan-2-one; LS-2987; EINECS 212-480-0; UNII-ZE5K73YN2Z; AKOS005720803; SCHEMBL4089642; 63969_FLUKA; TR-025712; DSSTox_CID_2125; AS-10570; SCHEMBL626185; NSC-14760; .beta.-Nonanone; 2-Nonanone, >=99%; KB-25771; AC1L217X; ZINC1653216; AK325631; DSSTox_GSID_22125; Ketone, heptyl methyl; CHEBI:77927; NSC14760; n-HEPTYL METHYL KETONE; n-C7H15COCH3; 2-Nonanone (natural); NSC 14760; EN300-19772; MolPort-001-787-669; InChI=1/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H; 108731_ALDRICH; beta-Nonanone; RL05133; AC1Q2VVN; BRN 1743645; MCULE-9635928766; BB_SC-6918; LMFA12000052; SCHEMBL103970; SBB061540; 821-55-6; 2-Nonanone, analytical standard; NE10665; CTK1C0274 |
C9H18O |
142.24 |
CCCCCCCC(=O)C |
|
TCMBANKIN019471 |
methylglyoxal |
Propanal, 2-oxo-; FT-0646558; CH3COCHO; oxopropanal; Propionaldehyde, 2-keto; Pyruvaldehyde solution; Pyroracemic aldehyde; alpha-Ketopropionaldehyde; 78-98-8; D07QPX; NSC-133493; 51252-84-7; Methylglyoxal solution, technical, ~40% in H2O; H451; RP00358; Propanedione; I14-13930; NSC626580; F0001-2060; PVL; pyruvaldehyde; NSC-133492; 2-oxopropanoyl; 2-Ketopropionaldehyde; Methylglyoxal solution; 2-Oxopropanal; D0G4CI; Ketopropionaldehyde; Pyruvoyl Group; ANW-37250; METHYL GLYOXAL; pyruvic aldehyde; 2-oxo-Propionaldehyde; Propanolone; KSC377C2D; Pyruvaldehyde polymer; CAS-78-98-8; BRN 0906750; RTR-025193; CCRIS 1741; EINECS 201-164-8; AN-23972; Tox21_303931; Methylglyoxal solution 40% in water; LS-139762; 1-Ketopropionaldehyde; AC1Q1JBB; acetylformaldehyde; Pyruvaldehyde solution, 40 wt. % in H2O; Propanal, 2-oxo- (9CI); C00546; KS-0000006N; NSC-626580; EC 201-164-8; CHEMBL170721; FEMA No. 2969; Propionaldehyde, 2-oxo-; NSC133493; CTK2H7121; GTPL6303; AB00820; AKOS000119318; DB03587; 1,2-Propanedione; acetyl formaldehyde; Acetylformyl; BP-20618; NSC-79019; 4-01-00-03631 (Beilstein Handbook Reference); Pyruvaldehyde (8CI); SC-74380; alpha-Ketopropionic aldehyde; DSSTox_GSID_21628; WLN: VHV1; AC1Q1JBA; .alpha.-Ketopropionaldehyde; 2-oxo-propanal; Glyoxal, methyl; DTXSID0021628; NSC79019; LTBB001468; DSSTox_CID_1628; AIJULSRZWUXGPQ-UHFFFAOYSA-N; 722KLD7415; NSC 79019; J-510228; Pyruvic Aldehyde (40% solution); HSDB 7510; 129393-62-0; 2-keto Propionaldehyde; NSC 337790; KB-60264; MFCD00006960; NSC 626580; UNII-722KLD7415; METHYL GLYOXAL, 30% IN WATER; methyl-glyoxal; Acetalformaldehyde; 2-Oxopropionaldehyde; KM1949; ZINC1532681; NSC133492; NCGC00356972-01; MCULE-2718961814; AC1L1A8H; MolPort-001-769-006; Epitope ID:143620; Pyruvic aldehyde solution, 35-45 wt. % in water 25g; 194597AC-5BFC-42EA-B6C8-DA2E5FAA13AF; Methylglyoxal solution, ~40% in H2O; CHEBI:17158 |
C3H4O2 |
72.06 g/mol |
CC(=O)C=O |
|
TCMBANKIN019509 |
(3S)-3,7-dimethyloct-6-enoic acid |
(S)-(−)-3,7-Dimethyl-6-octenoic acid; (S)-(−)-Citronellic acid; 364428_ALDRICH |
C10H18O2 |
170.25 |
CC(CCC=C(C)C)CC(=O)O |
|
TCMBANKIN019524 |
iridois |
|
|
|
|
|
TCMBANKIN019549 |
zygacine |
|
C29H45NO8 |
535.7 g/mol |
CC1CCC2C(C3C(CN2C1)C4CC56C(C4(C(C3O)O)O)CCC7C5(CCC(C7(O6)O)OC(=O)C)C)(C)O |
|
TCMBANKIN019689 |
(4aR,9aS)-2,9,9-trimethyl-5-methylene-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulene |
(4aR,9aS)-2,9,9-trimethyl-5-methylidene-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulene |
|
204.39 |
|
|
TCMBANKIN019741 |
49070_FLUKA |
(−)-Globulol |
C15H26O |
222.37 |
|
|
TCMBANKIN019815 |
beta-Gurjunene |
(1aR-(1aalpha,4alpha,4abeta,7abeta,7balpha))-Decahydro-1,1,4-trimethyl-7-methylene-1H-cycloprop(e)azulene; 73464-47-8; beta-gurjunene; 1H-Cycloprop(e)azulene, decahydro-1,1,4-trimethyl-7-methylene-, (1aR-(1aalpha,4alpha,4abeta,7abeta,7balpha))-; β-gurjunene |
C15H24 |
204.35 |
CC1CCC2C(C2(C)C)C3C1CCC3=C |
|
TCMBANKIN020058 |
(2S)-heptan-2-ol |
340332_ALDRICH; ZINC02003566; (S)-()-2-Heptanol |
C7H16O |
116.2 |
CCCCCC(C)O |
|
TCMBANKIN020291 |
eudesobovatol a |
125196-77-2; Eudesobovatol A; C10562; SCHEMBL4742784; AC1L9DHK; DTXSID60331968; 2-[[(1R,4aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-4-prop-2-enyl-6-(4-prop-2-enylphenoxy)phenol; CHEBI:4915 |
C33H44O4 |
504.7 g/mol |
CC12CCCC(C1CC(CC2)C(C)(C)O)(C)OC3=CC(=CC(=C3O)OC4=CC=C(C=C4)CC=C)CC=C |
|
TCMBANKIN020709 |
3'-hydroxy-4--methoxyisoflavone-7-o-beta-d-glucoside |
|
|
|
|
|
TCMBANKIN020726 |
phellatin |
Phellatin; LMPK12111709 |
C26H30O12 |
534.5 g/mol |
CC(C)(CCC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
|
TCMBANKIN021078 |
ningposide b |
[(2R,3R,4R,5R,6S)-5-acetyloxy-2,4-dihydroxy-6-methyloxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; Ningposide B; AC1NSZ4O |
C18H22O9 |
382.4 g/mol |
CC1C(C(C(C(O1)O)OC(=O)C=CC2=CC(=C(C=C2)O)OC)O)OC(=O)C |
|
TCMBANKIN021392 |
zingiberene |
CHEMBL479020; 495-60-3; 1,3-Cyclohexadiene, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (S-(R*,S*))-; (5R)-5-[(1S)-1,5-dimethylhex-4-enyl]-2-methylcyclohexa-1,3-diene; (5S)-5-[(1R)-1,5-dimethyl-4-hexenyl]-2-methyl-1,3-cyclohexadiene; (5R)-5-[(1S)-1,5-dimethylhex-4-enyl]-2-methyl-cyclohexa-1,3-diene; (S-(R*,S*))-5-(1,5-Dimethylhexen-4-yl)-2-methyl-1,3-cyclohexa-1,3-diene; AKOS015968402; Zingiberene; (5S)-2-Methyl-5-[(1R)-1,5-dimethyl-4-hexenyl]-1,3-cyclohexadiene; alpha-Zingiberene; [S-(R*,S*)]-5-(1,5-dimethylhexen-4-yl)-2-methyl-1,3-cyclohexa-1,3-diene; EINECS 207-804-2; LMPR01030039; ent-Zingiberene; ZINC44431718; (5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene; C09750; (5S)-2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene; CHEBI:583099; (+)-zingiberene |
C15H24 |
204.35 g/mol |
CC1=CCC(C=C1)C(C)CCC=C(C)C |
|
TCMBANKIN021406 |
[(3S)-3,7-dimethyloct-6-enyl] acetate |
acetic acid [(3S)-3,7-dimethyloct-6-enyl] ester; [(3S)-3,7-dimethyloct-6-enyl] ethanoate; ZINC02040946 |
C12H22O2 |
198.3 |
|
|
TCMBANKIN021950 |
(1Z,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene |
|
C15H24 |
204.35 |
|
|
TCMBANKIN022126 |
(S)-p-Mentha-1,8-dien-7-al |
ST5308426; (S)-4-Isopropenyl-cyclohexene-1-carboxaldehyde; (S)-(−)-Perillaldehyde; ZINC01529472; (−)-Perillaaldehyde; W355704_ALDRICH; 218294_ALDRICH; (4S)-4-isopropenylcyclohexene-1-carbaldehyde; (4S)-4-isopropenyl-1-cyclohexenecarboxaldehyde; InChI=1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H; (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde; 77302_FLUKA |
C10H14O |
150.22 |
CC(=C)C1CCC(=CC1)C=O |
|
TCMBANKIN022367 |
paravallarine |
CHEBI:67712; Paravallarine; AC1L9DSE; DTXSID90332029; 510-31-6; CHEMBL1801972; C10814 |
C22H33NO2 |
343.5 g/mol |
CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)NC)C)C(=O)O1 |
|
TCMBANKIN022422 |
(−)-Alloaromadendrene |
(−)-allo-Aromadendrene; 05680_FLUKA |
C10H18O |
154.25 |
|
|
TCMBANKIN022525 |
1,2-Dihydrocurcumin |
(4Z,6E)-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-4,6-heptadien-3-one; (4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-4,6-dien-3-one; (4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-4,6-dien-3-one |
C21H22O6 |
370.4 g/mol |
COC1=C(C=CC(=C1)CCC(=O)C=C(C=CC2=CC(=C(C=C2)O)OC)O)O |
|
TCMBANKIN022677 |
Rhodinol (6CI) |
6812-78-8; EINECS 229-887-4; (3S)-3,7-dimethyloct-7-en-1-ol; ZINC02508248; 7-Octen-1-ol, 3,7-dimethyl-, (S)-; 7-Octen-1-ol, 3,7-dimethyl-, (3S)-; FEMA No. 2980; (S)-3,7-Dimethyl-7-octen-1-ol; Rhodinol (natural); W298018_ALDRICH |
C10H20O |
156.27 |
CC(CCCC(=C)C)CCO |
|
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 |
|
TCMBANKIN023115 |
Gingerenone B |
7-(4-Hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one; AC1NSVUH; (E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; gingerenone b; (E)-7-(4-hydroxy-3,5-dimethoxy-phenyl)-1-(4-hydroxy-3-methoxy-phenyl)hept-4-en-3-one; (4E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one |
C22H26O6 |
386.44 |
COC1=CC(=CC(=C1O)OC)CCC=CC(=O)CCC2=CC(=C(C=C2)O)OC |
|
TCMBANKIN023309 |
himachalene |
Himachalene; 1H-Benzocycloheptene, 2, 4a, 5, 6, 7, 8-hexahydro-3, 5, 5, 9-tetramethyl-, (R)- |
C15H24 |
204.35 |
CC1=CC2C(=C(CCCC2(C)C)C)CC1 |
|
TCMBANKIN023371 |
(1R,4S,4aR,8aR)-4-isopropyl-1,6-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol |
(1R,4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN023721 |
amylcyclopropane |
Pentane, 1-cyclopropyl-; 2511-91-3; pentylcyclopropane; InChI=1/C8H16/c1-2-3-4-5-8-6-7-8/h8H,2-7H2,1H; 1-Cyclopropylpentane; Cyclopropane, pentyl- |
C8H16 |
112.21 |
CCCCCC1CC1 |
|
TCMBANKIN024714 |
(2R)-heptan-2-ol |
(R)-(−)-2-Heptanol; 408697_ALDRICH; 07225_FLUKA; ZINC01577208 |
C7H14O |
114.19 |
CCCCCC(C)O |
|
TCMBANKIN025453 |
4,8,12-trimethyl tridecanoicacid |
4,8,12-trimethyl tridecanoic acid |
C16H32O2 |
256.42 g/mol |
CC(C)CCCC(C)CCCC(C)CCC(=O)O |
|
TCMBANKIN025849 |
(4aR,8aR)-3-isopropylidene-5,8a-dimethyl-1,2,4,4a,7,8-hexahydronaphthalene |
(4aR,8aR)-5,8a-dimethyl-3-propan-2-ylidene-1,2,4,4a,7,8-hexahydronaphthalene |
C15H24 |
204.35 |
|
|
TCMBANKIN025993 |
l-Verbenone |
1196-01-6; 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one; ZINC00967601; (1S,5S)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-4-one; bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-; AI3-23128; (1S,5S)-2,7,7-trimethyl-4-bicyclo[3.1.1]hept-2-enone; Verbenone, (L)-; Pin-2-en-4-one; BB_NC-0220; Bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)-; InChI=1/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H; NSC 6831; EINECS 214-807-2 |
C10H14O |
150.22 |
CC1=CC(=O)C2CC1C2(C)C |
|
TCMBANKIN026994 |
2,6-dimethyl-octane |
|
C10H22 |
142.28 g/mol |
CCC(C)CCCC(C)C |
|
TCMBANKIN027248 |
(1R,3S,5R)-6,6-dimethyl-2-methylene-3-norpinanol |
EINECS 243-410-7; (1R,3S,5R)-6,6-dimethyl-2-methylene-norpinan-3-ol; (1R,3S,5R)-7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol; (1R-(1alpha,3beta,5alpha))-6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol; (1R,3S,5R)-7,7-dimethyl-4-methylidene-bicyclo[3.1.1]heptan-3-ol; 19894-98-5 |
C10H16O |
152.23 |
CC1(C2CC1C(=C)C(C2)O)C |
|
TCMBANKIN027920 |
pipecolic acid |
pipecolic acid ; pipecolicacid |
C6H11NO2 |
129.16 g/mol |
C1CCNC(C1)C(=O)O |
|
TCMBANKIN028172 |
(1S,4aS,8aS)-7-isopropyl-1,4a-dimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol |
(1S,4aS,8aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol |
|
222.41 |
|
|
TCMBANKIN028438 |
[(1R,5S)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl acetate |
[(1R,5S)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl ethanoate; acetic acid [(1R,5S)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl ester |
C12H18O2 |
194.27 |
|
|
TCMBANKIN028546 |
tricyclodehydroisohumulone |
AC1L9DNW; Tricyclodehydroisohumulone; (1S,5S,8R,10R)-2,5-DIHYDROXY-9,9-DIMETHYL-3-(3-METHYLBUTANOYL)-10-(PROP-1-EN-2-YL)TRICYCLO[6.3.0.0(1),?]UNDEC-2-ENE-4,6-DIONE; 56143-68-1; C10723; (2R,3aR,5aS,8aS)-5a,8-dihydroxy-3,3-dimethyl-7-(3-methylbutanoyl)-2-prop-1-en-2-yl-1,2,3a,4-tetrahydrocyclopenta[c]pentalene-5,6-dione; CHEBI:9698; DTXSID30332008 |
C21H28O5 |
360.4 g/mol |
CC(C)CC(=O)C1=C(C23CC(C(C2CC(=O)C3(C1=O)O)(C)C)C(=C)C)O |
|
TCMBANKIN028856 |
gleditsiasaaponin b-g |
|
|
|
|
|
TCMBANKIN028954 |
6-hydroxy-2-(2-hydroxy-2-phenylethyl)chro-mone |
|
C17H14O4 |
282.29 g/mol |
C1=CC=C(C=C1)C(CC2=CC(=O)C3=C(O2)C=CC(=C3)O)O |
|
TCMBANKIN029159 |
shogasulfonicacid b |
|
C20H24O8S |
424.5 g/mol |
COC1=C(C=CC(=C1)CCC(=O)CC(CCC2=CC(=C(C=C2)O)O)S(=O)(=O)O)O |
|
TCMBANKIN029605 |
.alpha.-Myrcene |
2-methyl-6-methylidene-octa-1,7-diene; 1,7-Octadiene, 2-methyl-6-methylene-; 2-methyl-6-methyleneocta-1,7-diene; 2-methyl-6-methylene-octa-1,7-diene; 2-methyl-6-methylideneocta-1,7-diene |
C10H16 |
136.23 |
CC(=C)CCCC(=C)C=C |
|
TCMBANKIN029644 |
scrohularin |
|
|
|
|
|
TCMBANKIN029776 |
4'-o-methyl leucopelargonidin-3-mono-glucofuranoside |
4'-o-methyl leucopelargonidin-3-mono-gluco-furanoside |
C22H26O11 |
|
COC1=CC=C(C=C1)C2C(C(C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(O4)C(CO)O)O)O |
|
TCMBANKIN029888 |
2-methyltridec-1-ene |
2-Methyl-1-tridecene; 18094-01-4; 2-Methyl-n-1-tridecene |
C14H28 |
196.37 |
CCCCCCCCCCCC(=C)C |
|
TCMBANKIN030241 |
Perilla ketone |
Purple Mint Plant Isolate; AKOS012403470; Purple mint plant extract; AIDS031293; LVHLZMUFIYAEQB-UHFFFAOYSA-N; UNII-CV69S6Y94V; 1-Pentanone, 1-(3-furyl)-4-methyl-; SCHEMBL4627614; BRN 0114624; AK318906; 5-17-09-00480 (Beilstein Handbook Reference); NSC348407; NE34625; AIDS-031293; perillaketone; DTXSID10203828; 1-(3-Furyl)-4-methyl-1-pentanone; 1-(furan-3-yl)-4-methylpentan-1-one; I14-22004; AC1L29MJ; NSC 348407; 1-(3-furyl)-4-methyl-pentan-1-one; CV69S6Y94V; NSC-348407; LS-101972; ZINC1580553; WLN: T5OJ CV2Y1&1; MolPort-027-616-418; perilla ketone; beta-Furyl isoamyl ketone; 1-Pentanone, 1-(3-furanyl)-4-methyl-; NCI60_003097; 1-furan-3-yl-4-methyl-pentan-1-one; BDBM50276352; 1-(3-Furanyl)-4-methyl-1-pentanone; 553-84-4; CHEMBL469753; 1-furan-3-yl-4-methylpentan-1-one; 1-(3-furyl)-4-methylpentan-1-one |
C10H14O2 |
166.22 |
CC(C)CCC(=O)C1=COC=C1 |
|
TCMBANKIN030262 |
1,5-epoxy-3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxy-phenyl)heptane |
|
C22H28O7 |
|
|
|
TCMBANKIN030264 |
shogasulfonicacid d |
|
C21H26O10S |
470.5 g/mol |
COC1=CC(=CC(=C1O)O)CCC(CC(=O)CCC2=CC(=C(C(=C2)OC)O)O)S(=O)(=O)O |
|
TCMBANKIN030358 |
Gingerenone A |
CHEMBL1086746; CHEBI:5352; Y7369; RP07048; 1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; BG01645411; 1,7-bis(4-hydroxy-3-methoxy-phenyl)hept-4-en-3-one; (4E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; ZINC1531844; 128700-97-0; AC1NQZ22; (E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; (E)-Gingerenone A; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one, 9CI; 4-Hepten-3-one, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (4E)-; gingerenone a; SCHEMBL4740686; 4-Hepten-3-one,1,7-bis(4-hydroxy-3-methoxyphenyl)-,(4E)-; 4-Hepten-3-one, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E)-; (E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hept-4-en-3-one; C10460; AKOS028112802; FWDXZNKYDTXGOT-GQCTYLIASA-N |
C21H24O5 |
356.41 |
COC1=C(C=CC(=C1)CCC=CC(=O)CCC2=CC(=C(C=C2)O)OC)O |
|
TCMBANKIN030414 |
2-Heptanol,3-methyl |
|
C8H18O |
130.23 g/mol |
CCCCC(C)C(C)O |
|
TCMBANKIN030894 |
8-geranyloxy psoralen |
9-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; MolPort-004-956-052; AKOS016009380; 9-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one; KB-250505; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3,7-dimethyl-2,6-octadienyl)oxy)-; 9-((2E)-3,7-dimethylocta-2,6-dienyloxy)furano[3,2-g]chromen-2-one; AC1NSVSU; 8-Geranoxypsoralen; Xanthotoxol geranyl ether; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-; 9-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; AK112332; 9-Geranyloxypsoralen; SMR001397031; W1271; 7437-55-0; BDBM50361381; NCGC00142593-02; MLS002472920; (E)-9-((3,7-Dimethyl-2,6-octadienyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; 8-geranoxy-psoralen; 8-Geranyloxy psoralen; AX8156636; ST069304; 8-Geranyloxypsoralen, analytical standard; 8-geranyloxypsoralen; 9-{[(2E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL]OXY}FURO[3,2-G]CHROMEN-7-ONE; CHEMBL1412710; NCGC00142593-01; 9-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-furo[3,2-g]chromen-2-one; ZINC2529828; 71612-25-4; SOVNCTNQAWWYAQ-OQLLNIDSSA-N; AJ-38441; ST24045829; 9-((3,7-Dimethylocta-2,6-dien-1-yl)-oxy)-7H-furo[3,2-g]chromen-7-one; SCHEMBL4538668; 8-geranyloxypsoralen, AldrichCPR; HMS2268O12; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3,7-dimethyl-2,6-octadienyl)oxy)-, (E)- |
C21H22O4 |
338.4 g/mol |
CC(=CCCC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C)C |
|
TCMBANKIN031006 |
amomumoside_qt |
|
|
170.28 |
|
|
TCMBANKIN031773 |
Aromadendrene oxide 2 |
11070_FLUKA |
C15H24O |
220.35 |
CC1CCC2C1C3C(C3(C)C)CCC24CO4 |
|
TCMBANKIN031968 |
6-O-methylcatalpol |
6-O-Methyl catalpol; 6-o-methyl catalpol |
C16H24O10 |
376.36 g/mol |
COC1C2C=COC(C2C3(C1O3)CO)OC4C(C(C(C(O4)CO)O)O)O |
|
TCMBANKIN032001 |
[(3S)-3,7-dimethylocta-1,6-dien-3-yl] acetate |
ZINC02041035; [(1S)-1,5-dimethyl-1-vinyl-hex-4-enyl] acetate; acetic acid [(1S)-1,5-dimethyl-1-vinyl-hex-4-enyl] ester; acetic acid [(1S)-1,5-dimethyl-1-vinylhex-4-enyl] ester; [(3S)-3,7-dimethylocta-1,6-dien-3-yl] ethanoate |
C12H20O2 |
196.29 |
|
|
TCMBANKIN032300 |
4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butanone |
|
C13H22O |
194.31 |
CC1=CCCC(C1CCC(=O)C)(C)C |
|
TCMBANKIN032653 |
Guaiol |
Spectrum3_001870; Guai-1(5)-en-11-ol; NSC19941; SCHEMBL18965701; C09676; 489-86-1; 448575_ALDRICH; Guaiac alcohol; 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, [3S-(3.alpha.,5.alpha.,8.alpha.)]-; 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol; 38730A; Champacol; [3S-(3alpha,5alpha,8alpha)]-1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-5-azulenemethanol; (−)-Guaiol; CHEBI:5552; BSPBio_003320; guaiol; 50900_FLUKA; 29242_FLUKA; SPECTRUM1800009; (3R,6S,10S)-6,10,alpha,alpha-Tetramethylbicyclo[5.3.0]dec-1(7)-ene-3-methanol; Champaca camphor; KBio3_002822 |
C15H26O |
222.37 |
CC1CCC(CC2=C1CCC2C)C(C)(C)O |
|
TCMBANKIN032947 |
difengpin |
AC1NSUIA; (2,6-dimethoxy-4-prop-2-enylphenyl) (E)-3-phenylprop-2-enoate |
C20H20O4 |
|
COC1=CC(=CC(=C1OC(=O)C=CC2=CC=CC=C2)OC)CC=C |
|
TCMBANKIN033260 |
6-gingediol |
|
C17H28O4 |
296.4 |
|
|
TCMBANKIN033735 |
elenolide |
AC1NSV1T; [(4S)-2-oxo-4-[(E)-1-oxobut-2-en-2-yl]-3,4-dihydropyran-5-yl] acetate |
C11H12O5 |
224.21 g/mol |
CC=C(C=O)C1CC(=O)OC=C1C(=O)OC |
|
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 |
|
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 |
|
TCMBANKIN035210 |
ZINC04026824 |
STOCK1N-11578 |
C15H24O |
220.35 |
|
|
TCMBANKIN035314 |
cis-Pinene hydrate |
ZINC01081323; (1R,2R,5S)-2,7,7-trimethylbicyclo[3.1.1]heptan-2-ol; cis-pinene hydrate; (1R,2R,5S)-2,6,6-trimethylnorpinan-2-ol; (1R,2R,5S)-2,6,6-trimethyl-2-norpinanol |
C10H18O |
154.25 |
CC1(C2CCC(C1C2)(C)O)C |
|
TCMBANKIN035365 |
cis-p-2,8-Menthadien-1-ol |
1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol cis-; (1R,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol; (1R,4S)-1-methyl-4-prop-1-en-2-yl-cyclohex-2-en-1-ol; 3886-78-0; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, cis-; (1R,4S)-4-isopropenyl-1-methyl-cyclohex-2-en-1-ol; (1R,4S)-4-isopropenyl-1-methyl-1-cyclohex-2-enol; cis-p-2,8-menthadien-1-ol |
C10H16O |
152.23 |
CC(=C)C1CCC(C=C1)(C)O |
|
TCMBANKIN035368 |
(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enecarboxaldehyde |
ZINC00968031; InChI=1/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H; (1S,5R)-7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde; ST5308423 |
C10H16O |
152.23 |
|
|
TCMBANKIN035526 |
()-beta-Citronellene |
(S)-()-3,7-Dimethyl-1,6-octadiene; 27475_FLUKA; (3S)-3,7-dimethylocta-1,6-diene |
C10H18 |
138.25 |
CC(CCC=C(C)C)C=C |
|
TCMBANKIN036214 |
(1S,4R,5R)-1-isopropyl-4-methyl-4-bicyclo[3.1.0]hexanol |
(1S,4R,5R)-1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-4-ol; (1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol; (1S,4R,5R)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-4-ol |
C10H18O |
154.25 |
|
|
TCMBANKIN036524 |
perilal |
AOVAKEPXEOVCEW-MGCOHNPYSA-N; AKOS030613877; AK658376; FEMA No. 4312, Z-; Cyclohexanecarboxaldehyde, 4-(1-methylethenyl)-; 1,2-Dihydroperillaldehyde; 1,2-Dihydroperillaldehyde, (E)-; VPH010VHP3; 1,2-Dihydroperillaldehyde, (E)-, and (Z)-; UNII-0RY0P8YIKM; ACMC-20mwy6; 0RY0P8YIKM; UNII-HW6871CJ1V; AK658377; 4-Isopropenyl-cyclohexanecarboxaldehyde; CTK0I8509; SCHEMBL4275139; AOVAKEPXEOVCEW-UHFFFAOYSA-N; (1alpha,4alpha)-p-Mentha-8-ene-7-al; 22451-50-9; AOVAKEPXEOVCEW-AOOOYVTPSA-N; FEMA No. 4312, E-; 4-(Prop-1-en-2-yl)cyclohexanecarbaldehyde; Cyclohexanecarboxaldehyde, 4-isopropenyl-, cis-; trans-1,2-Dihydroperillaldehyde; (1alpha,4beta)-p-Mentha-8-ene-7-al; 137886-38-5; UNII-VPH010VHP3; 1,2-Dihydroperillaldehyde, (Z)-; 4-prop-1-en-2-ylcyclohexane-1-carbaldehyde; Cyclohexanecarboxaldehyde, 4-isopropenyl-, trans-; trans-Dihydroperillaldehyde; HW6871CJ1V; CTK0F3390; cis-Dihydroperillaldehyde; FEMA No. 4312; Trans-4-(prop-1-en-2-yl)cyclohexanecarbaldehyde; UNII-HW6871CJ1V component AOVAKEPXEOVCEW-MGCOHNPYSA-N; AC1LB1NM; (+/-)-cis- and trans-1,2-Dihydroperillaldehyde [FIFH]; 4-(PROP-1-EN-2-YL)CYCLOHEXANE-1-CARBALDEHYDE; AKOS030613878; UNII-HW6871CJ1V component AOVAKEPXEOVCEW-AOOOYVTPSA-N; 22451-49-6; Cyclohexanecarboxaldehyde, 4-(1-methylethenyl)-, trans-; SCHEMBL14495583; (+/-)-cis- and trans-1,2-Dihydroperillaldehyde; cis-1,2-Dihydroperillaldehyde; Cyclohexanecarboxaldehyde, 4-(1-methylethenyl)-, cis- |
C10H16O |
152.23 g/mol |
CC(=C)C1CCC(CC1)C=O |
|
TCMBANKIN037001 |
alpha-Guaiene |
(1S,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene; alpha-guaiene; α-guaiene; (1S,4S,7R)-7-isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene |
C15H24 |
204.35 g/mol |
CC1CCC(CC2=C1CCC2C)C(=C)C |
|
TCMBANKIN037067 |
β-Cedrene |
beta-cedrene; DYLPEFGBWGEFBB-OSFYFWSMSA-N; CTK8F1427; A-Cedrene; (+)-; (+)-?-CEDRENE; 6QL7ERD5Q1; 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R,3aS,7S,8aS)-; AKOS015896901; 546-28-1; KB-62482; (+)-beta-Funebrene; (+)-beta-Cedrene, >=95.0% (sum of enantiomers, GC); 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, [3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-; UNII-6QL7ERD5Q1; (3R-(3alpha,3Abeta,7beta,8aalpha))-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene; 1H-3a,7-Methanoazulene,octahydro-3,8,8-trimethyl-6-methylene-,(3R,3aS,7S,8aS)-; (+)-beta-Cedrene; ZINC59778864; (+)-.beta.-Cedrene; (3R,3aS,7S,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene; .beta.-Cedrene; EINECS 208-898-8; (1S,2R,5S)-8-Methylene-2,6,6-trimethyltricyclo[5.3.1.01.5]undecane; 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R-(3alpha,3abeta,7beta,8aalpha))-; beta-Cedrene |
|
204.35 |
|
|
TCMBANKIN037308 |
β-Eudesmol |
2-Naphthaleneethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-; SCHEMBL12633040; beta-eudesmol; 2-[(2R,4aR,8aS)-4a-methyl-8-methylene-decalin-2-yl]propan-2-ol; 17790_FLUKA; 2-Naphthalenemethanol, decahydro-8-methylene-alpha,alpha,4a-trimethyl-, (2R-(2-alpha,4a-alpha,8a-beta)-; 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol; 3beta-(1-Hydroxy-1-methylethyl)-5-methylene-8abeta-methyldecahydronaphthalene; Beta- Eudesmol; (2R,4aR,8aS)-Decahydro-8-methylene-alpha,alpha,4a-trimethyl-2-naphthylmethanol; β- eudesmol; Eudesm-4(14)-en-11-ol (8CI); beta-Selinenol; rel-2-[(2R,4aR,8aS)-4a-methyl-8-methylenedecahydronaphthalen-2-yl]propan-2-ol; 2-naphthalenemethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-, (2R,4aR,8aS)-; C09664; InChI=1/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s; beta-eudesmol ; 2-[(2R,4aR,8aS)-4a-methyl-8-methylene-2-decalinyl]propan-2-ol; AC1NSVC6; 2-[(2R,4aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol; beta-Eudesmol; beta- eudesmol; 473-15-4; 4(15)-eudesmen-11-ol |
|
222.37 |
|
|
TCMBANKIN037504 |
β-Bisabolene |
(1S)-bisabola-4,7(11),10(15)-triene; (-)-beta-bisabolene; beta-Bisabolene; Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)-; (S)-(-)-6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene; LMPR0103060013; beta-bisabolene ; β-Bisabolene; UNII-S19BRC22QA; (1S)-bisabola-4,7(11),10(15)-triene (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-1-cyclohexene-, (4S)-; (4R)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene; S19BRC22QA; XZRVRYFILCSYSP-OAHLLOKOSA-N; InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H; CHEBI:49263; C19751; 1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; (4R)-1-methyl-4-(5-methyl-1-methylene-hex-4-enyl)cyclohexene; cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-; FT-0622892; (-)-.beta.-bisabolene; .beta.-Bisabolene; 495-61-4; β- bisabolene; (+,-)-.beta.-Bisabolene; (-)-b-bisabolene,b-bisabolene,6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene; (4R)-1-methyl-4-(5-methyl-1-methylenehex-4-enyl)cyclohexene; l-beta-Bisabolene; l-.beta.-Bisabolene; (S)-1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene; beta-bisabolene; (S)-beta-bisabolene; (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; CHEMBL1077088; C16775; ZINC1846611; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-(S)-cyclohexene; (s)-1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-cyclohexene; 1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-)- |
|
204.35 g/mol |
|
|
TCMBANKIN037541 |
alpha-Cubebene |
α-cubebene; α- cubebene; 17699-14-8; alpha-cubebene; C09647 |
C15H24 |
204.351 |
C([H])([H])([H])[C@@]1([H])[C@@]2([C@]3([H])C(C([H])([H])[H])=C([H])C2([H])[H])[C@@]3([H])[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H] |
|
TCMBANKIN037626 |
5-Hydroxy-1-methoxyxanthone |
|
|
242.23 g/mol |
|
|
TCMBANKIN037678 |
(4s)-4,8-dihydroxy-5-methoxy-α-tetralone |
|
C11H12O4 |
|
COC1=C2C(CCC(=O)C2=C(C=C1)O)O |
|
TCMBANKIN038259 |
Octanoic acid |
octanoic acid ; O-octanoyl-L-carnitine; (3-carboxylato-2-octanoyloxy-propyl)-trimethyl-ammonium; octanoylcarnitine; (-)-Octanoylcarnitine; L-Carnitine octanoyl ester; UNII-S1HB7P0O16 component CXTATJFJDMJMIY-CYBMUJFWSA-N; L-Octanoylcarnitine; L-O-Octanoylcarnitine; O-octanoyl-(R)-carnitine; (3R)-3-octanoyloxy-4-(trimethylammonio)butanoate; Octanoic acid ester with L-(3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; C02838; O-octanoyl-R-carnitine; Octanoyl-L-carnitine, >=97.0% (TLC); CHEBI:18102; LMFA07070002; SCHEMBL2915508 |
C8H16O2 |
144.211 |
C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[H] |
|
TCMBANKIN038448 |
Isobrucine |
isobrucine |
C23H28N2O4 |
396 |
c1(OC([H])([H])[H])c([H])c([C@@]2([C@@]([H])(N3C([H])([H])C2([H])[H])C([H])([H])[C@@]4([H])\C(=C([H])/C([H])([H])O[H])\C3([H])[H])[C@@]([H])([C@]4([H])C([H])([H])C([H])([H])C5=O)N56)c6c([H])c1OC([H])(
[H])[H] |
|
TCMBANKIN038710 |
terpinyl acetate |
TR-037878; KB-60724; ANW-37362; 2,6,6-TRIMETHYL-1,2-BIS({2,6,6-TRIMETHYLBICYCLO[3.1.1]HEPTAN-2-YL})BICYCLO[3.1.1]HEPTANE; ACETIC ACID; terpinylacetate; ACMC-1BKZH; AKOS015837978; RTR-037878; CTK3J2480; KSC492I8B |
C32H54O2 |
470.8 g/mol |
CC(=O)O.CC1(C2CCC(C1C2)(C)C3(CCC4CC3(C4(C)C)C5(CCC6CC5C6(C)C)C)C)C |
|
TCMBANKIN038763 |
Harpagide |
harpagide ; AKOS032947788; Harpagide; 6926/8/5 |
|
510 |
|
|
TCMBANKIN038865 |
3-o-acetyl-2-o-(3-methoxy-4-hydroxy-cinnamoyl)-alpha-l-rhamnose |
|
|
382.362 |
|
|
TCMBANKIN039293 |
5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxy-5-methoxyphenyl)heptan-3-one |
|
C21H26O7 |
390.4 g/mol |
COC1=CC(=CC(=C1O)O)CCC(CC(=O)CCC2=CC(=C(C=C2)O)OC)O |
|
TCMBANKIN039387 |
Furanodiene |
(5Z,9Z)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan; 4CN-2047; ZINC33831282; 57566-47-9; 19912-61-9; cyclodeca[b]furan, 4,7,8,11-tetrahydro-3,6,10-trimethyl-, (5E)-; (5E)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan; (5E,9E)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan; AC1NSVKM; Cyclodeca(b)furan, 4,7,8,11-tetrahydro-3,6,10-trimethyl-, (E,E)-; LS-55942; furanodiene; 3,6,10-Trimethyl-4,7,8,11-tetrahydro-cyclodeca[b]furan; Cyclodeca(b)furan, 4,7,8,11-tetrahydro-3,6,10-trimethyl-, (5E,9Z)-; InChI=1/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6; Germacra-1(10),4,7,11-tetraene, 8,12-epoxy-, (Z,E)- |
C15H20O |
216.32 |
CC1=CCC2=C(CC(=CCC1)C)OC=C2C |
|
TCMBANKIN039437 |
hexahydrocurcumin |
HY-N0929; AKOS028109862; CHEMBL479650; (RS)-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-3-heptanone; CS-4377; CHEBI:81358; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)heptan-3-one; NP-003852; MEGxp0_001211; DTXSID00415731; AC1NSWAP; Hexahydrocurcumin; SCHEMBL290121; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-5-heptanol-3-one; 9555AF; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one; (hexahydrocurcumin); Hexahydrocurcumin, analytical standard; 3-Heptanone, 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-; C17826; MolPort-001-741-439; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxylphenyl)-3-heptanone |
C21H26O6 |
374.428 |
c1(OC([H])([H])[H])c([H])c(C([H])([H])C([H])([H])C(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])c2c([H])c(OC([H])([H])[H])c(O[H])c([H])c2[H])c([H])c([H])c1O[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] |
|
TCMBANKIN039653 |
scrophuloside b4 |
|
|
|
CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C)OC(=O)C=CC6=CC=CC=C6)OC(=O)C=CC7=CC=C(C=C7)OC |
|
TCMBANKIN039837 |
buergerinin e |
|
C10H16O5 |
216.23 g/mol |
COC1C2CCOC3C2C(C1O)(CO3)O |
|
TCMBANKIN039838 |
10-dehydrogingerdione |
AC1NSUAV; (1Z,3Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradeca-1,3-dien-5-one |
C21H30O4 |
346.461 |
CCCCCCCCCC(=O)C=C(C=CC1=CC(=C(C=C1)O)OC)O |
|
TCMBANKIN040021 |
farnesiferol a |
7-{[(1S,4AS,6R,8AR)-6-HYDROXY-5,5,8A-TRIMETHYL-2-METHYLIDENE-HEXAHYDRO-1H-NAPHTHALEN-1-YL]METHOXY}CHROMEN-2-ONE; SCHEMBL12362728; 7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one; 8YC9944MPJ; UNII-8YC9944MPJ; Farnesiferol A, >=85% (NMR); 511-33-1; DTXSID00199105; ZINC4081322; Farnesiferol A; Mogoltadin; NCGC00385155-01!7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one; MolPort-002-525-707; CHEMBL1078138; AC1OF2BZ |
C24H30O4 |
382.5 g/mol |
CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C |
|
TCMBANKIN040054 |
Cynanuriculoside A |
cynanuriculoside a |
C55H88O21 |
1085.43 |
[C@@]1([H])(O[C@@]2([H])C([H])([H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@]3([H])C([H])([H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@]4([H])C([H])([H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@
]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O5)[C@@]([H])(C([H])([H])[H])O4)[C@@]([H])(C([H])([H])[H])O3)[C@@]([H])(C([H])([H])[H])O2)C([H])([H])C([H])([H])[C@@]6(C
([H])([H])[H])C(=C([H])C([H])([H])[C@]7(O[H])[C@]6([H])C([H])([H])[C@@]([H])(OC(=O)\C([H])=C(/C([H])([H])[H])\C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([C@@]([H])(O[H])C([H])([H])C8([H])[H])(C([H])([
H])C(=O)C([H])([H])[H])[C@@]78O[H])C1([H])[H] |
|
TCMBANKIN040391 |
Germacrene D |
C16142; (1E,6E,8S)-8-isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene; (1E,6E,8S)-8-isopropyl-1-methyl-5-methylene-cyclodeca-1,6-diene; germacrene-d; (-)-Germacrene D; (1E,6E,8S)-1-methyl-5-methylidene-8-propan-2-yl-cyclodeca-1,6-diene; germacrene d; Germacrene- D; GermacreneD; (1E,6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene; nchembio.2007.29-comp4 |
C15H24 |
204.351 |
C1([H])([H])C(=C([H])[H])\C([H])=C([H])\[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])\C(\C([H])([H])[H])=C([H])\C1([H])[H] |
|
TCMBANKIN040395 |
buergerinin a |
|
C12H18O3 |
|
|
|
TCMBANKIN040649 |
8-Gingerol |
(S)-(+)-[8]-Gingerol; 8-gingerol; Gingerol; SCHEMBL4883453; BCIWKKMTBRYQJU-UHFFFAOYSA-N; 1-(3-Methoxy-4-hydroxyphenyl)-5-hydroxy-3-dodecanone; 77398-92-6; 5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)dodecan-3-one; (S)-8-Gingerol; 8-gingerol ; CTK2G0224; AC1NQNFG; 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one; CG0023; 3-Dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-; DTXSID10414992; (S)-[8]-Gingerol |
C43H32O20 |
868.7 |
CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O |
|
TCMBANKIN040702 |
Globulol |
viridiflorol |
C15H26O |
222.366 |
[C@@]1(C([H])([H])[H])(O[H])C([H])([H])C([H])([H])[C@@]([H])(C2(C([H])([H])[H])C([H])([H])[H])[C@]2([H])[C@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C3([H])[H])[C@@]13[H] |
|
TCMBANKIN040849 |
7-Hydroxy-9-hydroxymethy-3-oxo-bicyclo[4.3.0]-8-nonene |
|
|
|
|
|
TCMBANKIN042011 |
[8]-Gingediol |
|
|
324.5 g/mol |
|
|
TCMBANKIN042277 |
12,13-Di-acetoxyl-1,4,6,11-eudesmanetetol |
12,13-di-acetoxyl-1,4,6,11-eudesmanetetol |
C19H32O8 |
388.51 |
C1([H])([H])[C@@]([H])(O[H])[C@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@@]([H])([C@@](OC(=O)C([H])([H])[H])(C([H])([H])OC(=O)C([H])([H])[H])O[H])[C@]2([H])O[H])[C@]2(C([H])([H])[H])[C@@](O[H])(C([H]
)([H])[H])C1([H])[H] |
|
TCMBANKIN042524 |
gamma-curcumene |
|
C15H24 |
204.351 |
C([H])([H])([C@@]([H])(C([H])([H])[H])C(C([H])([H])C([H])([H])C(C([H])([H])[H])=C1[H])=C1[H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H] |
|
TCMBANKIN042788 |
Neryl propionate |
3,7-Dimethyl-1-propanoate(2Z)-2,6-Octadien-1-ol; FAS39QE02Z; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-; DB-040664; ZINC1851030; LS-2982; 3,7-Dimethyl-2,6-octadien-1-yl propionate, cis-; CJ-30572; UNII-FAS39QE02Z; cis-3,7-Dimethyl-2,6-octadien-1-yl propanoate; cis-3,7-Dimethyl-2,6-octadien-1-yl propionate; EINECS 203-345-7; (2Z)-3,7-Dimethyl-2,6-octadienyl propionate #; (Z)-3,7-Dimethyl-2,6-octadienyl propanoate; AKOS015901976; Propionic acid, 3,7-dimethyl-2,6-octadien-1-yl ester; 3,7-Dimethyl-2,6-octadien-1-yl propanoate, cis-; I14-13371; 105-91-9; cis-3,7-Dimethyl-2,6-octadien-1-ol, propionate; FEMA No. 2777; Propionic acid, neryl ester; Nerylpropionate; SCHEMBL1532465; (Z)-3,7-dimethyl-2,6-octadien-1-yl propanoate; 3,7-Dimethyl-2,6-octadienyl propionate, (Z)-; Neryl propionate (natural); nerylpropionate; [(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate; propanoic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester; (2Z)-3,7-dimethylocta-2,6-dien-1-yl propanoate; propionic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester; 3,7-Dimethyl-propanoate(2Z)-2,6-Octadien-1-ol; neryl propionate; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (2Z)-; BYCHQEILESTMQU-XFXZXTDPSA-N; 3,7-Dimethyl-propanoate(Z)-2,6-Octadien-1-ol; (Z)-3,7-Dimethyl-2,6-octadienyl propionate; 3,7-Dimethyl-propionate(Z)-2,6-Octadien-1-ol; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate, (2Z)-; Neryl propanoate; FEMA 2777; LMFA07010976; 3,7-Dimethyl-2,6-octadienyl propanoate, (Z)-; 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, PROPIONATE, (Z)-; AC1NSMOC |
|
210.31 |
|
|
TCMBANKIN042821 |
buergerinin d |
|
C10H14O5 |
214.21 g/mol |
COC1C=C(C2(C1CC(=O)O2)CO)CO |
|
TCMBANKIN042826 |
delta7-menthene |
1-methylidene-4-propan-2-ylcyclohexane; 4-isopropyl-1-methylenecyclohexane; 1-(1-methylethyl)-4-methylenecyclohexane; 4-methylene-1-(propan-2-yl)cyclohexane; AKOS011393604; 1(7)-p-Menthene; 1124-24-9; CEWQMRMCIKPUIK-UHFFFAOYSA-N; 1-isopropyl-4-methylenecyclohexane; AC1LAPQH; 1-methylidene-4-(propan-2-yl)cyclohexane; Epitope ID:123901; CHEBI:59156 |
C10H18 |
138.25 g/mol |
CC(C)C1CCC(=C)CC1 |
|
TCMBANKIN042969 |
β-panasinsene |
beta-Phellandrene; beta-Panasinsene |
C15H24 |
204.35 |
CC1(CC23C1CCC2(CCCC3=C)C)C |
|
TCMBANKIN043415 |
3,5-Diacetyltambulin |
|
|
428.4 g/mol |
|
|
TCMBANKIN043469 |
γ-Elemene |
O-Menth-8-ene, 4-isopropylidene-1-vinyl-; 1-ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethylidene)-cyclohexane; γ- elemene; γ--elemene; γ-Elernene |
|
204.35 |
|
|
TCMBANKIN043643 |
Buergerinin B |
|
|
202.2 g/mol |
|
|
TCMBANKIN043764 |
p-menth-2-en-7-ol |
AC1NSXYY; [(4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol |
C10H18O |
154.25 g/mol |
CC(C)C1CCC(C=C1)CO |
|
TCMBANKIN043849 |
Geraniin |
AKOS015965424; CHEBI:5328; AC1MHDT3; 60976-49-0; BG01794303; ST24046002; Geraniiin; .beta.-D-Glucopyranose, cyclic 2.fwdarw.7:4.fwdarw.5-(3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate)cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), stereoisomer; BDBM50242278; BC216245; Q-100702; ZINC169289506; [undecahydroxy(pentaoxo)[?]yl] 3,4,5-trihydroxybenzoate; AIDS-048857; AC-8425; C10230; D0C6QS; 4CN-2802; .beta.-D-Glucopyranose, cyclic 2.fwdarw.7:4.fwdarw.5-(3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate) cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), stereo; Geraniin; AIDS048857; CHEMBL506069; (1R,7R,8S,26R,28S,29R,38R)-1,13,14,15,18,19,20,34,35,39,39-UNDECAHYDROXY-2,5,10,23,31-PENTAOXO-6,9,24,27,30,40-HEXAOXAOCTACYCLO[34.3.1.0?,(3)?.0?,(2)?.0?,(2)?.0(1)(1),(1)?.0(1)?,(2)(2).0(3)(2),(3)?]TETRACONTA-3,11(16),12,14,17(22),18,20,32,34,36-DECAEN-28-YL 3,4,5-TRIHYDROXYBENZOATE; JQQBXPCJFAKSPG-SVYIMCMUSA-N; (1R,7R,8S,26R,28S,29R,38R)-1,13,14,15,18,19,20,34,35,39,39-UNDECAHYDROXY-2,5,10,23,31-PENTAOXO-6,9,24,27,30,40-HEXAOXAOCTACYCLO[34.3.1.0?,(3)?.0?,(2)?.0?,(2)?.0(1)(1),(1)?.0(1)?,(2)(2).0(3)(2),(3)?]TETRACONTA-3,11(16),12,14,17,19,21,32(37),33,35-DECAEN-28-YL 3,4,5-TRIHYDROXYBENZOATE; geraniin |
C41H28O27 |
953 |
[C@]12([H])[C@]3([H])[C@]([H])(OC(=O)c(c([H])c(O[H])c(O[H])c4O[H])c4c(c(O[H])c(O[H])c(O[H])c5[H])c5C(=O)OC1([H])[H])[C@@]([H])(OC(=O)c(c([H])c(O[H])c6O[H])c(c6O7)[C@@]([H])(C(C(=O)O3)=C([H])C8=O)[C@@]
7(O[H])C8(O[H])O[H])[C@]([H])(OC(=O)c9c([H])c(O[H])c(O[H])c(O[H])c9[H])O2 |
|
TCMBANKIN044164 |
Buergerinin C |
|
|
198.22 g/mol |
|
|
TCMBANKIN044757 |
epibueropyridinium a |
|
C18H19NO5 |
|
|
|
TCMBANKIN045202 |
α-Panasinsene |
α-panasinsene |
|
204.39 |
|
|
TCMBANKIN045275 |
Hptaphylline |
|
C18H17NO2 |
279.333 |
O=C([H])c1c([H])c2c(n([H])c(c([H])c([H])c([H])c3[H])c23)c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c1O[H] |
|
TCMBANKIN045348 |
(3r,5s)-3,5-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane |
|
C22H30O7 |
406.469 |
COC1=CC(=CC(=C1O)OC)CCC(CC(CCC2=CC(=C(C=C2)O)OC)O)O |
|
TCMBANKIN045438 |
Buergerinin F |
|
|
170.21 g/mol |
|
|
TCMBANKIN045554 |
8-O-Feruloylharpagide |
8- o -feruloylharpagide |
|
540.5 g/mol |
|
|
TCMBANKIN045559 |
Nereistoxin |
31382-EP2281812A1; 31382-EP2311817A1; Nereistoxin; 71057-75-5 (HCl); CHEBI:7521; 1631-58-9; 31382-EP2377845A1; BRN 1421129; N,N-Dimethyl-1,2-dithiolan-4-amine; ZINC967836; CHEMBL2285758; DSOOGBGKEWZRIH-UHFFFAOYSA-; 1631-52-3 (monooxalate); 31382-EP2308858A1; 5-19-08-00347 (Beilstein Handbook Reference); I14-45026; 31382-EP2274983A1; C11474; DTXSID0075104; InChI=1/C5H11NS2/c1-6(2)5-3-7-8-4-5/h5H,3-4H2,1-2H3; AC1L25TR; N,N-dimethyldithiolan-4-amine; AKOS006277671; 1,2-DITHIOLAN-4-AMINE, N,N-DIMETHYL-; SCHEMBL10646903; 31382-EP2311816A1; LS-63225; 31382-EP2305658A1 |
|
149.3 g/mol |
|
|
TCMBANKIN045630 |
harpagoside |
MEGxp0_000469; Prestwick3_000988; Prestwick2_000988; EINECS 242-881-6; 19210-12-9; [(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate; C09783; LMPR01020111; HMS1571E17; ACon0_000056; ACon1_000134; Harpagoside; BSPBio_001055; harpagoside ; (E)-3-phenylprop-2-enoic acid [(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] ester; [(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate; (E)-3-phenylacrylic acid [(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] ester; (1S-(1alpha,4aalpha,5alpha,7alpha(E),7aalpha))-1,4a,5,6,7,7a-Hexahydro-4a,5-dihydroxy-7-methyl-7-((allyl-1-oxo-3-phenyl)oxy)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside; BPBio1_001161 |
C24H30O11 |
494.49 |
CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC=CC=C4 |
|
TCMBANKIN045822 |
Dihydro-beta-ionone |
EINECS 241-318-1; CHEBI:18015; Dihydro-; I14-18428; AK-60960; MolPort-003-721-207; SCHEMBL441670; .alpha.,.beta.-Dihydro-.beta.-ionone; OXIDIZED-LATIA-LUCIFERIN; AN-18697; 17283-81-7; CAS-17283-81-7; Dihydro-beta-ionone, >=90%; Dihydro-.beta.-ionone; AI3-32482; CHEMBL3188345; ZINC2565574; W362603_ALDRICH; 710YK6CESE; LS-2671; InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H; Oxidized Latia luciferin; FEMA No. 3626; 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one; UNII-710YK6CESE; 7,8-Dihydro-.beta.-ionone; Dihydro-b-ionone; 7,8-Dihydro-beta-ionone; .beta.-Ionone, dihydro-; QJJDNZGPQDGNDX-UHFFFAOYSA-N; AKOS015903877; 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone, 9CI; dihydro-beta-ionone; 4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one; 4-(2,6,6-trimethyl-cyclohex-1-enyl)-butan-2-one; dihydro-β-ionone; 4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one; DSSTox_CID_27200; STOCK1N-72264; 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone; DSSTox_GSID_47200; AC1LAS8K; 2-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-; C03527; ZINC02565574; DSSTox_RID_82195; Tox21_302666; Dihydro Lonone Beta; 4-(2,6,6-trimethylcyclohex-1-enyl)butan-2-one; 1-(1,1,5-Trimethylcyclohex-5-en-6-yl)-butan-3-one; 7,8-Dehydro-beta-ionone; 4-(2,6,6-trimethyl-1-cyclohexenyl)-butan-2-one; A-ionone; 5-Megastigmen-9-one; 4-(2,6,6-trimethyl-cyclohex-1 -enyl)-butan-2-one; FT-0725907; .beta.-7,8-Dihydroionone; alpha,beta-Dihydro-beta-ionone; DTXSID4047200; NCGC00256712-01; 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butan-2-one; Latia oxyluciferin; 4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanone; AJ-41132 |
C13H22O |
194.31 |
CC1=C(C(CCC1)(C)C)CCC(=O)C |
|
TCMBANKIN045842 |
ningposide d |
|
C18H22O8 |
366.4 g/mol |
CC1C(C(C(C(O1)O)OC(=O)C=CC2=CC=C(C=C2)OC)OC(=O)C)O |
|
TCMBANKIN045919 |
cinerins |
|
|
360.444 |
|
|
TCMBANKIN045956 |
1-(4-hydroxy-3-methoxyphenyl)propan-1,2-diol |
|
C10H14O4 |
|
CC(C(C1=CC(=C(C=C1)O)OC)O)O |
|
TCMBANKIN046041 |
methyl ally tetraslfide |
|
|
184.366 |
|
|
TCMBANKIN046249 |
camphene |
CHEMBL506889; CJ-04639; (-)-camphene; (-)-Camphene, technical grade, 75% (90% as camphene and fenchene); L-Camphene; DSSTox_RID_81702; (1S,4R)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane; Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-, (1S)-; (1S)-2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane; DSSTox_CID_26538; FCH1121419; (1S,4R)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane; 5794/4/7; C06305; (-) camphene; ZB015525; CC-00037; M5YAV509FN; UNII-G3VG94Z26E component CRPUJAZIXJMDBK-BDAKNGLRSA-N; DTXSID3046538; ZINC968230; CHEBI:89; (1S,4R)-camphene; (-)-Comphene; cam phene; DSSTox_GSID_46538; NCGC00166100-01; (-)-(1S,4R)-camphene; Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-, (1S,4R)-; CAS-5794-04-7; EINECS 227-337-8; UNII-M5YAV509FN; CRPUJAZIXJMDBK-BDAKNGLRSA-N; (1S)-2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane; Tox21_112314 |
C10H16 |
136.23 g/mol |
CC1(C2CCC(C2)C1=C)C |
|
TCMBANKIN046299 |
fenfangjine a |
|
C38H42N2O7 |
638.7 g/mol |
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CC[N+]6(C)[O-])OC)OC)OC)OC |
|
TCMBANKIN046563 |
[6]-Gingerdione (keto form) |
[6]-gingerdione(keto form) |
|
|
|
|
TCMBANKIN046650 |
6-dehydrohinokiol |
|
C21H30O |
|
|
|
TCMBANKIN046661 |
8-gingerdione |
|
C19H28O4 |
320.423 |
c1(O[H])c(OC([H])([H])[H])c([H])c(C([H])([H])C([H])([H])C(=O)C([H])([H])C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O)c([H])c1[H] |
|
TCMBANKIN047202 |
Campherenol |
NCGC00385952-01_C15H26O_1,7-Dimethyl-7-(4-methyl-3-penten-1-yl)bicyclo[2.2.1]heptan-2-ol; 4,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-3-ol; campherenol; MCULE-1605960082; AC1NSTBN |
C15H26O |
222.37 |
CC(=CCCC1(C2CCC1(C(C2)O)C)C)C |
|
TCMBANKIN047312 |
10-gingerol |
AKOS027420583; 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one; AC1NQNFJ; (S)-[10]-Gingerol; AK468895; BG01639773; 107257-18-1; 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone; 5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)tetradecan-3-one; 1-(3-Methoxy-4-hydroxyphenyl)-5-hydroxy-3-tetradecanone; SCHEMBL4885722; 3-Tetradecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)- |
C21H34O4 |
350.5 g/mol |
CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O |
|
TCMBANKIN047548 |
Ningpogoside B |
|
|
|
|
|
TCMBANKIN047557 |
Bueropyridinium A |
|
|
|
|
|
TCMBANKIN047609 |
(3s,5s)-3,5-diacetoxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane |
|
C25H32O8 |
|
CC(=O)OC(CCC1=CC(=C(C=C1)O)OC)CC(CCC2=CC(=C(C=C2)O)OC)OC(=O)C |
|
TCMBANKIN047728 |
buergerinin g |
|
C9H12O4 |
184.19 g/mol |
CC12CC3C(O1)(CCO2)CC(=O)O3 |
|
TCMBANKIN048149 |
β-Sesquiphellandrene |
beta-sesqui-phellandrene; b-sesquiphellandrene; beta-sesquiphellandrene; beta-Sesquiphellandrene; β- sesquiphellandrene; beta-sesquiphellandrene ; β-sesqui-phellandrene |
|
204.35 |
|
|
TCMBANKIN048392 |
alpha-eudesmol |
92480-60-9; 2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol; 75684-39-8; C09663; 473-16-5; α-eudesmol; 2-Naphthalenemethanol, 1,2,3,4,4a,5,6,8a-octahydro-alpha,alpha,4a,8-tetramethyl-, (2R,4aR,8aR)-; alpha-eudesmol |
C15H26O |
222.366 |
[C@@]1([H])(C(O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]([H])(C(C([H])([H])[H])=C([H])C([H])([H])C2([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H] |
|
TCMBANKIN048395 |
8-o-(2-hydroxycinnamoyl)harpagide |
|
C24H30O12 |
|
CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC=CC=C4O |
|
TCMBANKIN049104 |
5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptan-3-one |
|
C20H24O6 |
360.4 g/mol |
COC1=C(C=CC(=C1)CCC(=O)CC(CCC2=CC(=C(C=C2)O)O)O)O |
|
TCMBANKIN049148 |
beta-ionone |
(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one; (Z)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; BB_NC-0321; 4-(2,6,6-Trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one; NSC 402758; beta-Cyclocitrylideneacetone; SCHEMBL813343; AIDS-032326; AIDS032326; EINECS 238-969-9; 4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one; .beta.-Cyclocitrylideneacetone; 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one; W259500_ALDRICH; 4-(2,6,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one; NSC46137; WLN: L6UTJ A1U1V1 B1 F1 F1; e-4-(2,6,6-trimethyl-cyclohexyl)-but-3-en-2-one; LS-871; EINECS 252-325-4; YJRODKCOICMRBO-BQYQJAHWSA-N; LS-47337; 35031-06-2; ST5306954; trans-.beta.-Ionone; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E); IONONE, BETA; EINECS 252-912-5; β- Ionone; 58180_FLUKA; (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one; 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; .beta.-Ionone isomer # 1; C12287; NSC402758; (3E)-4-(2,2,6-TRIMETHYLCYCLOHEXYL)BUT-3-EN-2-ONE; 14901-07-6; 4-(2,6,6-Trimethyl-2(1)-cyclohexen-1-yl)-3-buten-2-one; .beta.-Ionone isomer # 2; SCHEMBL813341; Dihydroionone; ZINC03881456; AC1O5BV0; Ionone, .beta.-; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-; CCRIS 6249; (E)-4-(2,2,6-trimethylcyclohexyl)but-3-en-2-one; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-; I12603_ALDRICH; InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7; β-ionone; W259519_ALDRICH; .beta.-Ionone; beta-Ionone; 79-77-6; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-; .beta.-Ionene; 4-(2,2,6-Trimethylcyclohexyl)-3-buten-2-one; 36208-32-9 |
C13H20O |
192.297 |
C1([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C(\C([H])=C([H])\C(=O)C([H])([H])[H])=C(C([H])([H])[H])C([H])([H])C1([H])[H] |
|
TCMBANKIN049469 |
cis-lanceol |
|
C15H24O |
220.35 |
CC1=CCC(CC1)C(=C)CCC=C(C)CO |
|
TCMBANKIN049480 |
2-nonanol |
SCHEMBL162308; FEMA 3315; NONAN-2-OL; ST2419753; 2-hydroxynonane; Methyl heptyl carbinol; FEMA No. 3315; MolPort-001-759-249; LMFA05000619; 2-NONANOL; FT-0626937; 65572-87-4; n-Nonan-2-ol; AI3-37210; NSC-9481; 2-Nonanol, >=97%; 74683-66-2; AC1L1ZFX; 628-99-9; Methylheptylcarbinol; EINECS 211-065-1; CTK1J6430; SBB008521; sec-Nonanol; KS-000015RN; AN-22051; AK126497; CHEBI:78304; 2-Nonanol (natural); Methyloctanol; Nonanol-(2); ACMC-20apgn; NGDNVOAEIVQRFH-UHFFFAOYSA-N; NSC 9481; CHEMBL454517; RTR-021649; AKOS009157271; N0334; Heptylmethylcarbinol; 2-Nonyl Alcohol; TL8004308; 1-Octanol, methyl-; ANW-34436; MCULE-5218382339; 2-Nonanol, 99%; ACMC-1BCWZ; KB-259060; Heptyl methyl carbinol; TR-021649; 1-Methyl-1-octanol; MFCD00004593; NSC9481; AC1Q77CI; I14-49247 |
C9H20O |
144.25 g/mol |
CCCCCCCC(C)O |
|
TCMBANKIN049862 |
galanolactone |
4CN-2115; W1487; C17498; ZINC33831303; AKOS032948702; CHEBI:81135; Galanolactone; (8S)-8,20-Epoxy-15-hydroxylabd-12-en-16-oic acid 16,15-lactone; (+)-Galanolactone; (3E)-3-[2-[(1R,2S,4aS,8aS)-5,5,8a-trimethylspiro[decalin-2,2'-oxirane]-1-yl]ethylidene]tetrahydrofuran-2-one; BG01030793; MolPort-035-705-926; 115753-79-2; 2(3H)-Furanone,dihydro-3-[2-[(1R,2S,4aS,8aS)-octahydro-5,5,8a-trimethylspiro[naphthalene-2(1H),2'-oxiran]-1-yl]ethylidene]-,(3E)- |
C20H30O3 |
318 |
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])\C([H])=C(/C([H])([H])C([H])([H])O2)\C2=O)[C@]3(C([H])([H])O3)C([H])([H])C4([H])[H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])C1([H]
)[H] |
|
TCMBANKIN050166 |
β-Fenchene |
beta-fenchene; beta-Fenchene |
|
136.26 |
|
|
TCMBANKIN050207 |
Ningpogoside A |
|
|
|
|
|
TCMBANKIN050307 |
d-alpha-pipecoline |
d-α-pipecoline |
C6H13N |
99.17 g/mol |
CC1CCCCN1 |
|
TCMBANKIN057142 |
Ruvoside |
UN2330; 1120-21-4; CAS-1120-21-4; LTBB002321; LS-158394; UN 2330; UNII-JV0QT00NUE; DSSTox_CID_1689; AI3-21126; U203; ACMC-209t6p; MolPort-001-783-218; Jsp000912; CCRIS 3796; Undecane [UN2330] [Flammable liquid]; EC 214-300-6; UND; undecyl group; 4-01-00-00487 (Beilstein Handbook Reference); KSC176C3J; Undecane; ANW-42095; 175476-97-8; DSSTox_RID_76285; AC1L23G2; n-Undecane, 99% 50g; Undekan; Undecane, 99%; QSPL 058; 17398EC4-D16F-42F6-8A27-60F8EC075469; BRN 1697099; Undecane, >=99%; TR-002350; InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H; UNDECAN-2-YL; MCULE-7319807036; NSC 66159; EINECS 214-300-6; J-002689; RSJKGSCJYJTIGS-UHFFFAOYSA-N; NCGC00254001-01; DTXSID9021689; n-C11H24; U0002; S0283; undecan; DSSTox_GSID_21689; SC-79237; CHEMBL132474; Undecane, analytical standard; JV0QT00NUE; MFCD00008959; Hendekan; HSDB 5791; CH3-[CH2]9-CH3; NCGC00247896-01; C-28174; CC-33184; N-UNDECANE; AKOS005145675; FT-0633353; AN-20593; 61193-21-3; 55101-35-4; KS-00000WJI; NSC66159; NSC-66159; I14-60624; ZINC1693211; Hendecane; Decane, methyl-; n-Hendecane; LMFA11000591; CHEBI:46342; TRA0090240; Undecane [UN2330] [Flammable liquid]; DB-041031; CTK0H6134; RTR-002350; Tox21_300076;LMFA11000001; Tridekan; InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; CH3-[CH2]11-CH3; 629-50-5; 91490_FLUKA; 442713_SUPELCO; HSDB 5727; n-Tridecane; EINECS 211-093-4; NSC66205; T57401_ALDRICH; Tridecane; CHEBI:35998; NSC 66205; TRIDECANE, N-; C13834;Tridekan; UNII-114P5I43UJ component IIYFAKIEWZDVMP-UHFFFAOYSA-N; MCULE-7749861366; U393; DB-054344; Tridecane_GurudeebanSatyavani; ACMC-209t6w; C13H28; C13834; N-TRIDECANE; 757DB156-6441-49B0-A824-1532074AC0F6; NCGC00257175-01; IIYFAKIEWZDVMP-UHFFFAOYSA-N; Tridecane, >=99%; TL8004327; MolPort-003-933-018; LS-157141; AN-22061; STL301147; CAS-629-50-5; tridecan; LMFA11000001; SC-74775; AC1L1ZHL; LTBB002872; DSSTox_CID_7266; C-28190; InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; Tridecane, 99.0%; TRA0008560; I14-59696; KSC353S8D; UNII-FW7807707B component IIYFAKIEWZDVMP-UHFFFAOYSA-N; S0285; Dodecane, methyl-; AKOS016011009; FT-0632663; Tridecane, analytical standard; Alkanes, C12-14; MFCD00008979; UNII-A3LZF0L939; DSSTox_GSID_27266; RT-000404; CHEMBL135694; tridecyl group; KS-00000XDT; ST24031950; HSDB 5727; EINECS 211-093-4; AC1Q28TY; DSSTox_RID_78377; FT-0082500; DTXSID6027266; CC-33178; A3LZF0L939; Tox21_303043; NSC-66205; Tridecane; CH3-[CH2]11-CH3; CTK2F3981; TRD; EC 211-093-4; NSC66205; AK115985; ANW-42102; 629-50-5; CHEBI:35998; NSC 66205; TRIDECANE, N-; ZINC1693738;n-tridecane;TRD |
C30H46O9 |
|
[C@]1([H])(OC([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O[C@@]([H])(O[C@@]2([H])C([H])([H])[C@]3([H])[C@@](C([H])([H])O[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]([H])(
C4=C([H])C(=O)OC4([H])[H])C([H])([H])C5([H])[H])[C@]56O[H])[C@@]6([H])C([H])([H])C3([H])[H])C([H])([H])C2([H])[H])[C@@]1([H])O[H] |
|
TCMBANKIN057924 |
l-aspargine |
L-Asn; L-asparatamine; (2S)-2-azaniumyl-3-carbamoylpropanoate; CJ-24207; (2S)-4-amino-2-azaniumyl-4-oxobutanoate; CHEBI:58048; L-beta-asparagine; (2S)-2-azaniumyl-4-azanyl-4-oxidanylidene-butanoate; L-asparagine zwitterion; A820795; (2S)-2-ammonio-3-carbamoylpropanoate; A836895; asparagine; (2S)-4-amino-2-ammonio-4-oxobutanoate;asparagine;L-Asn; L-asparatamine; (2S)-2-azaniumyl-3-carbamoylpropanoate; CJ-24207; (2S)-4-amino-2-azaniumyl-4-oxobutanoate; CHEBI:58048; L-beta-asparagine; (2S)-2-azaniumyl-4-azanyl-4-oxidanylidene-butanoate; L-asparagine zwitterion; A820795; (2S)-2-ammonio-3-carbamoylpropanoate; A836895; (2S)-4-amino-2-ammonio-4-oxobutanoate |
C4H8N2O3 |
132.12 g/mol |
C(C(C(=O)[O-])[NH3+])C(=O)N |
|
TCMBANKIN058043 |
safrole |
saf rAllyldioxybenzene methylene ether; 8022-92-2; Safrole MF; Rhyuno oil; m-Allylpyrocatechin methylene ether; Spectrum5_000843; WLN: T56 BO DO CHJ G2U1; 1,2-Methylenedioxy-4-allylbenzene; C10490; Allylpyrocatechol methylene ether; NSC 11831; Allylcatechol methylene ether; BENZENE,1-ALLYL,3,4-METHYLENEDIOXY SAFROLE; 5-19-01-00553 (Beilstein Handbook Reference); Shikomol; S9652_SIGMA; 1-Allyl-3,4-methylenedioxybenzene; BSPBio_002810; [1,2-(Methylenedioxy)-4-allyl]benzene; Spectrum_001446; Safrole; 1,3-Benzodioxole, 5-(2-propenyl)-; AI3-00514; DivK1c_001022; EINECS 202-345-4; KBio2_004494; 4-Allylpyrocatechol; 4-Allyl-1,2-methylenedioxybenzene; NSC11831; KBio3_002030; KBio2_001926; KBioSS_001926; 3,4-(Methylenedioxy)allylbenzene; 5-(2-Propenyl)-1,3-benzodioxole; Sassafras; KBioGR_002319; 1406-55-9; ST5406117; SPBio_000850; RCRA waste number U203; (Allyldioxy)benzene methylene ether; 5-prop-2-enyl-1,3-benzodioxole; Spectrum4_001939; KBio2_007062; 94-59-7; SDCCGMLS-0066708.P001; 4-Allylpyrocatechol formaldehyde acetal; NINDS_001022; BRN 0136380; 5-Allyl-1,3-benzodioxole; CCRIS 553; Caswell No. 729; InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H; EPA Pesticide Chemical Code 097901; HSDB 2653; Shikimole; Spectrum3_001105; SPECTRUM1503620; NCGC00091122-02; Spectrum2_000775; 1-Allyl-3,4-(methylenedioxy)benzene; 4-Allyl-1,2-(methylenedioxy)benzene; NCGC00091122-03; Benzene, 4-allyl-1,2-(methylenedioxy)-; NCGC00091122-01; IDI1_001022; ZINC00002050; Benzene, 1,2-methylenedioxy-4-allyl-; Safrene; RCRA waste no. U203; 1,2-(Methylenedioxy)-4-allylbenzene; 1,3-Benzodioxole, 5-allyl-; KBio1_001022ole; Safrol |
C10H10O2 |
162.19g/mol |
C=CCC1=CC2=C(C=C1)OCO2 |
|
TCMBANKIN058179 |
1,7-dihydroxyxanthone |
euxanthone; 1,7-dihydroxy-9-xanthenone; 1,7-dihydroxyxanthen-9-one; 9H-Xanthen-9-one, 1,7-dihydroxy-; AIDS415944; AIDS-415944; 1,7-Dihydroxyxanthone; 529-61-3; C10061 |
C13H8O4 |
228.2 g/mol |
C1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O |
|
TCMBANKIN058212 |
4-hydroxybenzaldehyde;HBA |
4-hydroxybenzal-dehyde; 4-hydroxy-benzaldehyde;54590_FLUKA; p-Oxybenzaldehyde; ST5213381; 123-08-0; p-Hydroxybenzaldehyde; FR-0985; 65581-83-1; AIDS-017917; InChI=1/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9; 4-HYDROXY-BENZALDEHYDE; ZINC00156709; BRN 0471352; Benzaldehyde, 4-hydroxy-, homopolymer; 4-08-00-00251 (Beilstein Handbook Reference); CHEBI:17597; NSC 2127; 4-Formylphenol; Benzaldehyde, p-hydroxy-; Usaf m-6; AIDS017917; 4-HYDROXYBENZALDEHYDE; 54589_FLUKA; AI3-15366; Benzaldehyde, 4-hydroxy-; Parahydroxybenzaldehyde; C00633; AB-131/40191192; p-Formylphenol; c0285; NSC2127; WLN: VHR DQ; W398403_ALDRICH; 4-Hydroxybenzaldehyde, homopolymer; EINECS 204-599-1; 144088_ALDRICH |
C7H6O2 |
122.12 |
C1=CC(=CC=C1C=O)O |
|
TCMBANKIN058306 |
cinnamic acid |
Cinnamic acid, (Z)-; trans-beta-Carboxystyrene; (Z)-3-phenylprop-2-enoate; Cinnamylic acid; trans-Zimtsaeure; Benzenepropenoic acid; Zimtsaeure; cinnamic acid ; 3-phenylprop-2-enoic acid; C80857_ALDRICH; 102-94-3; 133760_ALDRICH; AIDS-017619; tert-.beta.-Phenylacrylic acid; BRN 1905952; STK286093; InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11; CCRIS 3190; NSC174025; 3-Phenylpropenoic acid; CHEBI:35700; W228818_ALDRICH; cinnamicacid; (E)-3-Phenyl-2-propenoic acid; 4-09-00-02002 (Beilstein Handbook Reference); NSC623441; AC1OAGPW; 140-10-3; Benzylideneacetic acid; NSC44010; Zimtsaeure [German]; 2-Propenoic acid, 3-phenyl-, (E)-; 3-Phenyl-2-propenoic acid; NSC9189; 2-Propenoic acid, 3-phenyl-, (Z)-; trans-3-Phenylacrylic acid; C10438; W228826_ALDRICH; Cinnamic acid, (E)-; WLN: QV1U1R; NCGC00165979-01; NSC 44010; CHEBI:27386; (2Z)-3-phenylacrylate; trans-Cinnamic acid; (Z)-Cinnamic acid; (2E)-3-phenylprop-2-enoic acid; Acidum cinnamylicum; (2E)-3-phenyl-2-propenoic acid; 621-82-9; cis-.beta.-Carboxystyrene; PHENYLETHYLENECARBOXYLIC ACID; EINECS 210-708-3; 2-Propenoic acid, 3-phenyl-; 3-Phenylacrylic acid; CHEBI:35697; EINECS 205-398-1; cis-Cinnamic acid; BRN 0507757; C00423; (2Z)-3-phenylprop-2-enoate; Kyselina skoricove [Czech]; Phenylacrylic acid; Cinnamic acid; Cinnamic acid (natural); (E)-3-phenylacrylic acid; cis-cinnamate; AI3-00891; (2E)-3-phenylacrylic acid; Allocinnamic acid; (E)-3-phenylprop-2-enoic acid; (E)-Cinnamic acid; beta-phenylacrylic acid; AIDS017619; trans-Cinnamate; trans-.beta.-Carboxystyrene; trans-3-Phenyl-2-propenoic acid; 96340_FLUKA; FEMA No. 2288; trans-3-Phenylpropensaeure; NSC 9189; Isocinnamic acid; AI3-23709; cis-Cinnamic acidanion; E-cinnamicacid; E-cinnamic acid; E- cinnamicacid; 3-Phenylpropenoic acid |
C9H8O2 |
148.16 |
C1=CC=C(C=C1)C=CC(=O)O |
|
TCMBANKIN058407 |
THZ |
NCGC00091399-01; EINECS 202-396-2; NSC 8040; FEMA Number 3256; AIDS-019689; FEMA No. 3256; Benzosulfonazole; BOT; c1128; 128366-28-9; ZINC00019726; o-2857; Vangard BT; 4-27-00-01069 (Beilstein Handbook Reference); AIDS019689; AC-907/25014160; W325600_ALDRICH; 101338_ALDRICH; 95-16-9; NSC8040; Benzothiazol; CCRIS 7893; HSDB 2796; BENZOTHIAZOLE; 1,3-benzothiazole; CHEBI:45993; InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5; WLN: T56 BN DSJ; Usaf ek-4812; 12797_FLUKA; AI3-05742; BRN 0109468; 1-Thia-3-azaindene; 4-Benzothiazol-2-yl-2-methyl-phenylamine; MLS002702269; cid_384525; 4-Benzothiazol-2-yl-2-methyl-phenyl amine; BB 0245167; MCULE-2465361022; 4-(benzo[d]thiazol-2-yl)-2-methylbenzenamine; 2-(4'-amino-3'-methylphenyl)benzothiazole; T6913; NSC674495; LS-28095; STK027735; BAS 06856403; ZINC6701; EN300-231774; Benzothiazole, 2-(4-amino-3-methylphenyl)-; SBB007298; BB_SC-0831; MFCD00950805; CHEMBL11825; AC1L8NN0; IDBCUMFOZBUJCL-UHFFFAOYSA-N; BBL008089; MolPort-000-810-817; HMS3433D11; 4-(1,3-benzothiazol-2-yl)-2-methylaniline; ZB000649; 178804-04-1; CTK0E3411; SMR001565831; SR-01000319885; DF-203; BDBM50141278; 2-(4-amino-3-methylphenyl)benzothiazole; AKOS000108517; [4-(1,3-benzothiazol-2-yl)-2-methylphenyl]amine; NCI60_026383; NSC-674495; SR-01000319885-1; DTXSID30327656; SCHEMBL1326042; BB_SC-00831; 4-benzothiazol-2-yl-2-methylphenylamine; 4-(3H-1lambda*4*-Benzothiazol-2-yl)-2-methyl-phenylamine; ST077878; Benzenamine, 4-(2-benzothiazolyl)-2-methyl-; Benzenamine, 4-(benzothiazol-2-yl)-2-methyl-; AK619236; 4-(benzo[d]thiazol-2-yl)-2-methylaniline; CCG-35258; ZERO/005854; IMED57809015; benzothiazole |
C7H5NS |
135.19 |
C1=CC=C2C(=C1)N=CS2 |
|
TCMBANKIN058493 |
(?)-cubebin |
18423-69-3; (-)-Cubebin; AI3-62265; (3R,4R)-3,4-BIS(2H-1,3-BENZODIOXOL-5-YLMETHYL)OXOLAN-2-OL; SCHEMBL12857446; BG01069891; 1242843-00-0; 2-Furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-; Tetrahydro-3,4-dipiperonylfuran-2-ol; (2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-ol; Cubebine; AKOS000276832; 2-Furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-, (2S,3R,4R)-; (2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol; rac-Cubebin; AIDS-002469; (2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)-2-tetrahydrofuranol; .beta.-Cubebin; cubebin; C10549; CHEMBL3752996; EINECS 242-300-6; AIDS002469; 2-Furanol, tetrahydro-3,4-dipiperonyl-; Cubebin; (- )-cubebin |
C20H20O6 |
356.4 g/mol |
C1C(C(C(O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 |
|
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 |
|
TCMBANKIN058644 |
iridoid-related aglycone |
ningpogenin |
C9H14O3 |
|
C1COC2C1C(C(=C2)CO)CO |
|
TCMBANKIN058683 |
2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]propan-2-ol |
EINECS 211-360-5; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol; 8024-27-9; AI3-00210; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R,3S,4S)-; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-yl-cyclohexyl]propan-2-ol; 639-99-6; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1theta-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinyl-cyclohexyl]propan-2-ol; (1S,2S,4R)-(-)-alpha,alpha-Dimethyl-1-vinyl-o-menth-8-ene-4-methanol;Elemol;elemol; GFJIQNADMLPFOW-GUTXKFCHSA-N; [1R-[1.alpha.,3.alpha.,4.beta.]]-4-Ethenyl-.alpha.,.alpha.,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol |
C15H26O |
222.37 |
CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O |
|
TCMBANKIN058697 |
T-Terpineol |
cis-β-terpineol;trans-belta-terpineol;cis-belta-terpineol;trans-β-terpineol;4-isopropenyl-1-methyl-cyclohexanol |
C10H18O |
154.25 g/mol |
CC(=C)C1CCC(CC1)(C)O |
|
TCMBANKIN058716 |
β-selinene |
ZINC8234293; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene eudesma-4(14),11-diene; .beta.-Eudesmene; CHEBI:10443; YOVSPTNQHMDJAG-QLFBSQMISA-N; Eudesma-4(14),11-diene; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecahydronaphthalene; beta-selinene; CHEMBL2287242; beta-Selinene; eudesemene; 17066-67-0; beta-Eudesmene; BETA-SELINENE; beta-selinene ; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylene-decalin; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecalin; beta-selinene ; β- Selinene; (+)-beta-Selinene; (3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene; .beta.-Selinene; [4aR-(4aalpha,7alpha,8abeta)]-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; 7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene-, (4aR-(4a.alpha.,7.alpha.,8a.beta.))-; (4ar,7r,8as)-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; AC1L9CQH; (+)-.beta.-Selinene; LMPR0103190014; C09723; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, [4aR-(4a.alpha.,7.alpha.,8a.beta.)]-;eudesma-4(14),11-diene; Eudesma-4(14), 11-diene;b-selinene;Eudesma-4(14),11-diene;Selinene;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylenedecalin;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylene-decalin; 18423-23-9; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, (4aR-(4aalpha,7alpha,8abeta))-; (3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene |
C15H24 |
204.35 g/mol |
CC(=C)C1CCC2(CCCC(=C)C2C1)C |
|
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 |
|
TCMBANKIN058823 |
geranial |
geranialdehyde; NCGC00091550-04; Citral, mixture of cis and trans; MFCD00006997; CITRAL NATURAL; Genanial; Citral (natural); A829835; RP21648; 250599-19-0; Citral; D00VWN; 3,7-dimethyl-(2e)-2,6-octadienal; NCI-C56348; AI3-28519; Q-200867; STOCK1N-24160; 433282-33-8; BRN 1721871; geranial ; EINECS 226-394-6; Lemsyn GB; NSC 6170; (2E)-3,7-dimethyl-2,6-octadien-1-al; FEMA No. 2303; 3,6-octadienal; alpha -Citral; CHEBI:23316; F0001-1403; Citral Ex Litsea(Citral ); 2,6-Octadienal, 3,7-dimethyl-, (2E)-; HSDB 993; ST24028249; 3,7-Dimethyl-1,2,6-octadienal; cis/trans-3,7-Dimethyl-2,6-octadienal; CHEMBL1080997; 758ZMW724E; Citral alpha; Geranaldehyde; ZINC1529208; (E)-3,7-Dimethyl-2,6-octadienal; WTEVQBCEXWBHNA-JXMROGBWSA-N; Citral, mixture of cis and trans, >=96%, FG; NSC-6170; CHEBI:137934; polyprenals; Citral, cis + trans; (E)-Neral; AN-21095; (2E)-3,7-dimethylocta-2,6-dienal; FEMA 2303; NCGC00091550-01; WLN: VH1UY1&3Y1&U1; LMPR0102010003; EINECS 205-476-5; STK802499; litsea cubeba oil terpeneless; Citral a; EC 205-476-5; 147060-73-9; AK116645; citral-b; Citral, Vetec(TM) reagent grade, 94%; (E)-Citral; RTR-037028; .alpha.-Citral; BRN 1721873; 2,6-Octadienal, 3,7-dimethyl-, (E)-; KB-234385; C01499; Z-Citral; AKOS000119519; 3,7-dimethylocta-2,6-dienal; BG00600714; Lemarome n; 5392-40-5; (E)-3,7-Dimethylocta-2,6-dienal; Citral, 95%; SCHEMBL23073; C15604; Citral, natural, >=96%, FCC, FG; TR-037028; 3,7-Dimethyl-trans-2,6-octadienal; LS41486; (E)-Geranial; trans-3,7-Dimethyl-2,6-octadienal; 4-01-00-03569 (Beilstein Handbook Reference); cis,trans-Citral; MolPort-001-783-112; NCGC00091550-02; UNII-758ZMW724E; EC 226-394-6; AI3-01011; ST50308094; lemonal; EPA Pesticide Chemical Code 040510; AC1LCVGF; UNII-T7EU0O9VPP component WTEVQBCEXWBHNA-JXMROGBWSA-N; NSC6170; MolPort-003-909-614; LS-97778; 37350-34-8; AN-23205; 1392408-16-0; EBD2204555; TL8003535; NCGC00091550-03; BBL011666; GERANIAL; Citral-A; InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7; FEMA Number 2303; AJ-26578; CHEBI:16980; CJ-05166; 3,7-DIMETHYL-2,6-OCTADIENAL(TRANS); CITRAL SINTETICO; AC1Q6POW; (2Z)-3,7-Dimethyl-2,6-octadienal; (2E)-3,7-dimethyl-octa-2,6-dienal; Natural Citral; beta-Geranial; trans-Citral; AC1Q1NUZ; S14-1149; geranal; Caswell No. 221B; LEMAROME; 3,7-Dimethyl-2,6-octadienal; 2,6-Dimethyloctadien-2,6-al-8; 8022-94-4; 3,7-dimethyl-(e)-2,6-octadienal; cis-3,7-Dimethyl-2,6-octadienal; SBB060834; CJ-23866; SC-26888; 141-27-5; GTPL6327; 96680-15-8; CCRIS 1043; polyprenal; 3-01-00-03053 (Beilstein Handbook Reference); (2E)-3,7-Dimethyl-2,6-octadienal; cis/trans Citral;; 3,2,6-octadienal; trans-Citral = trans-3,7-Dimethyl-octa-2,6-dien-1-al; (Z)-3,7-Dimethyl-2,6-octadienal; Citral, analytical standard; 3,7- dimethylocta-2,6-dienal; alpha-Citral;(e)-citral;(E)-3,7- dimethyl-2,6-octadienal;citral a |
C10H16O |
152.23 g/mol |
CC(=CCCC(=CC=O)C)C |
|
TCMBANKIN058830 |
(Z)-β-farnesene |
(z)-beta-farnesene; (Z)-β-Farnesene; (6Z)-7,11-dimethyl-3-methylene-1,6,10-dodecatriene; (6Z)-7,11-dimethyl-3-methylidene-dodeca-1,6,10-triene; beta-cis-farnesene; (Z)-beta-farnesene; (6Z)-7,11-dimethyl-3-methylene-dodeca-1,6,10-triene; beta-(Z)-farnesene; cis-β-Farnesene; (Z)-.beta.-Farnesene; 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (Z)-; 28973-97-9; CHEBI:39242; (6Z)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene; (6Z)-7,11-dimethyl-3-methylenedodeca-1,6,10-triene; cis-beta-farnesene |
C15H24 |
204.35 g/mol |
CC(=CCCC(=CCCC(=C)C=C)C)C |
|
TCMBANKIN058839 |
Farnesol acetate |
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate; [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate; acetic acid 3,7,11-trimethyldodeca-2,6,10-trienyl ester; InChI=1/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12; 2,6,10-dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (2E,6E)-; All-trans-Farnesyl acetate; farnesol acetate; 4128-17-0; 3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate; 340480_ALDRICH; 29548-30-9; NSC132958; AI3-33837; 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate; (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol acetate; 3,7,11-Trimethyldodeca-2,6,10-trienyl acetate; [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ethanoate; 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (E,E)-; (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl acetate; acetic acid [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ester; 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol acetate; 3,7,11-trimethyldodeca-2,6,10-trienyl ethanoate; trans,trans-Farnesyl acetate; 45895_FLUKA; EINECS 249-689-1; ZINC01719908; 3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl acetate; NSC 132958;trans,trans-farnesyl acetate;Farnesyl acetate;Tox21_302688; AKOS025295075; (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate; ACM29548309; D5ZJ1FOC2I; [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate; Farnesyl acetate, 95%, mixture of cis and trans; MolPort-002-135-206; trans-2-trans-6-Farnesyl acetate; (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate; 162327-52-8; Farnesol acetate; ST50826011; UNII-D5ZJ1FOC2I; E,E-Farnesyl Acetate; Farnesyl acetate, mixture of isomers; S14-1289; (E,E)-farnesyl acetate; InChI=1/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12; 2-trans-6-trans-Farnesyl acetate; MFCD00036516; acetic acid [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] ester; TR-012831; 2,6,10-dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (2E,6E)-; Farnesyl acetate, technical, mixture of isomers; All-trans-Farnesyl acetate; LMFA07010230; [(E,E)-3,7,11-Trimethyl-2,6,10-dodecatriene-1-yl]ester of acetic acid; ZGIGZINMAOQWLX-NCZFFCEISA-N; (E)-Farnesyl acetate; DTXSID5047110; trans, trans-Farnesyl acetate; DSSTox_GSID_47110; farneoylacetate; 4128-17-0; 3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate; trans,trans-Farnesyl acetate, 95%; Farnesyl acetate, (E,E)-; A819958; 29548-30-9; NSC132958; DSSTox_CID_27110; Acetic acid (6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl ester; (cis,trans)-Farnesyl acetate; (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol acetate; [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ethanoate; AC1LCWI8; 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (E,E)-; UNII-2ARF3ZNJ1R component ZGIGZINMAOQWLX-NCZFFCEISA-N; (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl acetate; acetic acid [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ester; AC1Q65TN; J-500791; (2E,6Z)-1-Acetoxy-3,7,11-trimethyl-2,6,10-dodecatriene; trans,trans-Farnesyl acetate; farnesyl acetate; farnesyl acetate, No Antioxidant; [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] ethanoate; 1192109-55-9; 3,11-Trimethyl-2,6,10-dodecatrienyl acetate; (2Z,6Z)-3,7,11-Trimethyl-2,6,10-dodecatriene-1-ol acetate; Farnesyl acetate, (2E,6E)-; (2E,6E)-Farnesyl acetate; trans2,trans6-Farnesyl acetate; DSSTox_RID_82120; 2,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate; NCGC00256905-01; CHEMBL3184169; ZINC1719908; CAS-4128-17-0; [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate; NSC-132958 |
C17H28O2 |
264.4 g/mol |
CC(=CCCC(=CCCC(=CCOC(=O)C)C)C)C |
|
TCMBANKIN058844 |
Nerol acetate |
3, 6-octadienyl acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-; EINECS 205-459-2; Meraneine; DSSTox_CID_654; Bay pine (oyster) oil; Acetic acid geranyl; 3,7-Dimethyl-2,6-octadienyl acetate; W277304_ALDRICH; Geraniol acetate; 166243_ALDRICH; ST50306944; Jsp000549; 8022-83-1; 130396-84-8; 45896_FLUKA; NSC-72031; trans-3,7-Dimethyl-2,6-octadienyl acetate; 2, 3,7-dimethyl-, acetate,(E)-; HSDB 586; FEMA Number 2509; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-; 68311-13-7; 3,7-Dimethyl-2,6-octadienyl acetate, (Z)-; NSC2584; 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, cis-; (E)-3,7-Dimethyl-2,6-octadien-1-yl acetate; I14-1178; NSC72031; ZX-AT010684; W-108778; (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate; W250902_ALDRICH; AC1LU7NR; BRN 1722814; MLS002152904; 3,7-Dimethyl-2,6-octadien-1-ylacetic acid; GERANYL ACETATE; Geranyl Acetate 98; SCHEMBL56913; HMS2268G10; W250910_ALDRICH; [(2E)-3,7-dimethylocta-2,6-dienyl] acetate; 68412-04-4; 3,7-Dimethyl-2,6-octadien-1-yl acetate, cis-; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-; acetic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester; FEMA No. 2773; 16409-44-2; O310; NCGC00091394-02; 4-02-00-00204 (Beilstein Handbook Reference); 45897_FLUKA; Acetic acid geraniol ester; 130396-85-9; trans-Geraniol acetate; Geranyl acetate, >=97%; trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate; EINECS 203-341-5; acetic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester; Acetic acid, geraniol ester; AKOS015837938; 3,7-dimethyl-2,6-octadien-1-yl acetate; 1,6-Octadiene, 7-methyl-3-methylene-, acetylated; Tox21_202089; beta-Geranyl Acetate; WLN: 1Y & U3YU2OV1-T; Geranyl acetate, food grade (71% geranyl acetate, 29% citronellyl acetate); NCGC00259638-01; CCRIS 877; 141-12-8; acetic acid 3,7-dimethylocta-2,6-dienyl ester; Geranyl acetate, analytical standard; Geranyl ethanoate; MolPort-003-855-596; DSSTox_GSID_20654; CHEBI:5331; CHEMBL1369384; NERYLACETATE; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-; C09861; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-; GERANYL ACETATE FCC; NCGC00254482-01; Linalyl, neryl, geranyl acetates, mixture; AC1Q65TG; cis-3,7-Dimethyl-2,6-octadien-1-ol acetate; 2-02-00-00153 (Beilstein Handbook Reference); 3,7-Dimethyl-2,6-octadien-1-ol acetate; DSSTox_RID_75714; nerylacetate; CJ-24102; Acetic acid, geranyl ester; FEMA No. 2509; [(2Z)-3,7-dimethylocta-2,6-dienyl] ethanoate; 3,7-Dimethyl-2,6-octadien-1-ylacetate; ZINC01531610; DTXSID0020654; 3,7-Dimethyl-2,6-octadienyl acetate, mixture of isomers, >97.0% (sum of isomers, GC); 3,7-Dimethyloctyl acetate, tetradehydro derivative; EC 203-341-5; SCHEMBL56914; CAS-105-87-3; (2Z)-3,7-dimethyl-2,6-octadien-1-yl acetate; Tox21_300355; NCI-C54728; EINECS 240-458-0; Nerol acetate (6CI); Geranyl acetate, natural, FCC; TC-169893; 3,7-Dimethyl-2,6-octadienyl=acetate; ST5306944; 46015_FLUKA; 1-Octanol, 3,7-dimethyl-, 1-acetate, tetradehydro deriv.; EINECS 269-749-0; NSC 2584; Nerol acetate; HIGQPQRQIQDZMP-DHZHZOJOSA-N; (2E)-3,7-Dimethyl-2,6-octadienyl acetate #; 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-; Neryl ethanoate; trans-3,6-octadien-1-ol, acetate; I14-18212; Geranyl acetate, primary pharmaceutical reference standard; 2, 3,7-dimethyl-, acetate, (E)-; CC-35196; MFCD00015037; CHEBI:88568; 3,7-dimethylocta-2,6-dienyl ethanoate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2Z)-; 105-87-3; NCGC00091394-03; 3,7-Dimethyl-2-trans, 6-octadienyl acetate; GERANYL ACETATE EXTRA; [(2E)-3,7-dimethylocta-2,6-dienyl] ethanoate; Geranyl acetate (natural); AI3-35817; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-; 3,7-dimethylocta-2,6-dien-1-yl acetate; 2, 3,7-dimethyl-, acetate, trans-; ZINC1531610; Geranyl acetate, cis-; Geranyl acetate, FCC; J-007463; Geranyl acetate; 173495_ALDRICH; trans-3,7-Dimethyl-2,6-octadien-1-yl acetate; BDBM50037025; BRN 1722815; 33843-18-4; SMR000127400; 3W81YG7P9R; NCGC00091394-01; trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate; 3,7-Dimethyl-2E,6-octadienyl acetate; Geranyl acetate A; (2E)-3,7-dimethylocta-2,6-dien-1-yl acetate; 2,6-Dimethyl-2,6-octadiene-8-yl acetate; AN-22398; OR6044; geranylacetat; NCGC00091394-04; Neryl acetate; UNII-3W81YG7P9R; CJ-05234; G0028; Trans-3,7-dimethyl-2,6-octadien-1-yl ethanoate; Geranyl Acetate 60; 1-Octanol, 3,7-dimethyl-, acetate, tetradehydro deriv.; Monoterpene Acetate mixture; NSC-2584; AI3-00207; trans-3,7- dimethyl-2,6-octadien-1-ol acetate; LMFA07010189; Neryl acetate (natural); 3,7-Dimethylocta-2,6-dienyl acetate; cis-3,7-Dimethyl-2,6-octadien-1-yl acetate; [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate; LS-2979; trans-geranyl acetate;nerolacetate |
C12H20O2 |
196.29 g/mol |
CC(=CCCC(=CCOC(=O)C)C)C |
|
TCMBANKIN058848 |
geraniol acetate |
75157-67-4; (E)-3,7-dimethyl-2,6-octadien-1-yl ace tate; SCHEMBL6569468; 3,7-Dimethyl-trans-2,6-octadien-1-yl acetate; 3,7-dimethyl-2-trans,6-octadienyl acetate; LS-392; (E)-3,7-dimethyl-2,6-octadien-1-ol acetate; (1E/Z)-acetic acid 2,6-dimethylhepta-1,5-dienyl ester; geranoil acetate; geranylacetate; geranyl acetate |
C11H18O2 |
182.26 g/mol |
CC(=CCCC(=COC(=O)C)C)C |
|
TCMBANKIN058851 |
linalool |
Spectrum5_000393; KBioGR_002294; KBio2_003260; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; W263516_ALDRICH; ZINC01529820;beta-linalool;NSC-3789; AK-50127; (+/-)-3,7-Dimethyl-1,6-octadien-3-ol; ACMC-209pf1; D0X5DC; Linalool Solution, 1000 mg/L, 1 ml (RM, ISO GUIDE 34); Linalool, primary pharmaceutical reference standard; CDOSHBSSFJOMGT-UHFFFAOYSA-N; AC1L1MRY; Howood Oil; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3S)-; KSC377K8J; AC1Q1NVD; KB-179981; (+/-) LINALOOL; NCGC00259207-01; 3,6-dien-3-ol; AI3-00942; HSDB 645; (S)-Linalol; 2,7-Octadien-6-ol, 2,6-dimethyl-; 2,6-Dimethylocta-2,7-dien-6-ol; Linalool ex orange oil; (?)-3,7-Dimethyl-1,6-octadien-3-ol; DB-062552; I14-13929; FT-0614785; FCH1115719; Tox21_201658; 11024-20-7; BB_NC-00123; MolPort-001-783-101; LS-97796; 2,6-Dimethyl-2,7-octadien-6-ol; Linalool (natural); L0048; Linalool; BRN 1721488; 2,7-octadiene-6-ol; DSSTox_RID_77812; 3,7-Dimethyl-1,6-octadien-3-ol; BC207603; STL373777; AC1Q2BP3; FEMA No. 2635; ANW-37211; MCULE-2407576698; 3,6-octadien-3-ol; Natural Linalool; Linalool b; SCHEMBL20316; BBL027734; EINECS 204-811-2; LINALOOL (+); CU-01000013132-2; LINOLOOL (D); ST069326; dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene; NSC 3789; CHEBI:17580; Linalool ex ho oil; Linalool, 97%; (.+/-.)-Linalool; allo-Ocimenol; GTPL2469; CCRIS 6557; ( -)-Linalool; BG00600803; NCGC00257060-01; C03985; EINECS 201-134-4; HMS2268E18; Tox21_303037; Phantol; (+-)-Linalool; SBB012353; SMR000112394; DTXSID7025502; (R)-3,7-Dimethyl-1,6-octadien-3-ol; DL -3,7-Dimethyl-3-hydroxy-1,6-octadiene; BB_NC-0123; NCGC00091688-04; (+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene; CHEMBL25306; MLS002152908; WLN: 1Y1&U3XQ1&1U1 -,-; LINALYL ALCOHOL; Q-201306; 0-01-00-00462 (Beilstein Handbook Reference); SC-74998; CAS-78-70-6; (+/-)-linalool; LINALOOL EX BOIS DE ROSE; RTR-030706; NCGC00091688-02; Linalool, analytical standard; MFCD00008906; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; Linalool, >=97%, FCC, FG; AC-551; Linolool; NSC3789; Linalool, certified reference material, TraceCERT(R); FEMA Number 2635; AKOS015901617; 3,7-Dimethyl-1, 6-octadien-3-ol; p-Linalool; Linalool ex bois de rose oil; FEMA 2635; DSSTox_CID_5502; .beta.-Linalool; EC 201-134-4; TR-030706; CTK2H7584; LS-1752; KS-00000WLW; 3,7-Dimethylocta-1,6-dien-3-ol; DSSTox_GSID_25502; WLN: 1U1XQ1&3UY1&1; 1,6-Octadien-3-ol, 3,7-dimethyl-; ( )-linalool; CCRIS 3726; Linanool; 78-70-6; NCGC00091688-03; Caswell No. 526A; AN-22986; 2,6-Dimethyl-2,7-octadiene-6-ol; (RS)-Linalool; RP21877; (1)-3,7-Dimethyl-1,6-octadien-3-ol; AN-15757; AC1Q1NVE; LINALOOL, (+-)-; NCGC00091688-01; Linalol; beta-Linalool; EINECS 245-083-6; 22564-99-4; Linalool, .beta.; 2,7-dien-6-ol; EPA Pesticide Chemical Code 128838; 1, 3,7-dimethyl-, (-)-; 3,7-dimethyl-octa-1,6-dien-3-ol;L-linalool;CJ-23937; Spectrum5_000393; LMPR0102010013; AKOS028109218; linalool ; Linalool; 1,6-Octadien-3-ol,3,7-dimethyl-, (3R)-; (R)-3,7-Dimethyl-1,6-octadien-3-ol; AC1L9E4Q; KBioGR_002294; (R)-3,7-dimethylocta-1,6-dien-3-ol; KBio2_003260; Epoxydihydrolinalool; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; ZINC1529820; Spectrum4_001777; C11388; linalool oxide; 126-91-0; 3U21E3V8I2; KBio3_002285; CCG-38497; CTK8F1408; KBio2_005828; KBioSS_000692; (-)-Linalool; EINECS 204-811-2; (-)-3,7-dimethyl-1,6-octadien-3-ol; LINALOOL (+); (3R)-Linalool; L-LINALOOL, REF. IND.-14<F128><144><F255>; CHEMBL235672; CHEBI:28; SpecPlus_000909; SCHEMBL891312; (-)-Linalool, analytical standard; UNII-3U21E3V8I2; KBio1_001949; J-005448; MolPort-003-666-060; NCGC00095658-01; FT-0772303; BSPBio_002785; SDCCGMLS-0066889.P001; UNII-D81QY6I88E component CDOSHBSSFJOMGT-JTQLQIEISA-N; L-Linalool; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; L-Linalool, natural, >=95%, FG; SPBio_002007; Spectrum3_001173; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-; NCGC00095658-02; SPECTRUM1501212; SMP2_000331; (-)-Linalool, >=95.0% (sum of enantiomers, GC); Linalool, (-)-; 3R,7-dimethylocta-1,6-dien-3-ol; DivK1c_007005; (R)-linalool; (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol; DTXSID40872607; laevo-linalool; MFCD00135469; Spectrum2_001944; I14-45868; (3R)-3,7-dimethyl-1,6-octadien-3-ol; Spectrum_000212; (R)-(-)-Linalool |
C10H18O |
154.25 g/mol |
CC(=CCCC(C)(C=C)O)C |
|
TCMBANKIN058894 |
santalol |
α-santalol; (Z)-2-methyl-5-[(1S, 2R, 4R)-2-methyl-3-methylene-2-norbornanyl]pent-2-en-1-ol; (Z)-2-methyl-5-[(1S, 4R, 6R)-6-methyl-5-methylidene-6-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol; (2Z)-2-methyl-5-[(1S, 2R, 4R)-2-methyl-3-methylidenebicyclo[2.2.1]hept-2-yl]pent-2-en-1-ol; (Z)-2-methyl-5-[(1S, 2R, 4R)-2-methyl-3-methylene-norbornan-2-yl]pent-2-en-1-ol; CHEBI:10441; (Z)-beta-santalol; 2-Penten-1-ol, 2-methyl-5-(2-methyl-3-methylene-2-norbornyl)-; beta-Santalenol; 37172-31-9; (1S-(1alpha, 2alpha(Z), 4alpha))-2-Methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-2-penten-1-ol; beta-santalol; CHEBI:10441; cis-beta-santalol; Santalol, beta-; 2-Penten-1-ol, 2-methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-, (1S-(1alpha, 2alpha(Z), 4alpha))-; UNII-1DGG9VW8SA |
C15H24O |
220.35 g/mol |
CC(=CCCC1(C2CCC(C2)C1=C)C)CO |
|
TCMBANKIN058898 |
γ-camphorene |
AC1NSTBW; gamma-camphorene; 5-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpent-3-enyl)cyclohexene;gamma-Camphorene; Cyclohexene, 5-(5-methyl-1-methylene-4-hexen-1-yl)-1-(4-methyl-3-penten-1-yl)-; Camphorene, m-; 5-(6-Methylhepta-1,5-dien-2-yl)-1-(4-methylpent-3-en-1-yl)cyclohex-1-ene; 1,5-Heptadiene, 6-methyl-2-[3-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl]-; Cyclohexene, 5-(5-methyl-1-methylene-4-hexenyl)-1-(4-methyl-3-pentenyl)-; OIRFZVJHADZVMD-UHFFFAOYSA-N; m-Camphorene; Metacamphorene |
C20H32 |
272.5 g/mol |
CC(=CCCC1=CCCC(C1)C(=C)CCC=C(C)C)C |
|
TCMBANKIN058949 |
eugenone |
eugenon; 1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione; Eugenone; 2,4,6-Trimethoxybenzoylacetone; J167.369F; ?eugenone ; 480-27-3; AKOS027749230; 1-(2,4,6-trimethoxyphenyl)butane-1,3-dione; AC1NSVC9; UNII-Q49DQ8CSTB; Q49DQ8CSTB;4-hydroxy-2-(2,4,5-trimethoxyphenyl)-2e-butenal |
C13H16O5 |
252.26 g/mol |
CC(=O)CC(=O)C1=C(C=C(C=C1OC)OC)OC |
|
TCMBANKIN059023 |
()-Bornyl acetate |
ZINC00388664; ()-Acetic acid bornyl ester; 45853_FLUKA; endo-(1R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate |
C12H20O2 |
196.29 |
CC(=O)OC1CC2CCC1(C2(C)C)C |
|
TCMBANKIN059086 |
Phenol, 2,4-bis(1,1-dimethylethyl) |
phenol,2,4-bis(1,1-dimethylethyl);Phenol, 2,4-di(1,1-dimethylethyl)-; Prodox 146A-85X; WLN: 1X1&1&R BQ CX1&1&1; 137731_ALDRICH; ZINC01081075; 96-76-4; EINECS 202-532-0; 2,4-DI-T-BUTYLPHENOL; 1-Hydroxy-2,4-di-tert-butylbenzene; InChI=1/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H; Phenol, 2,4-di-tert-butyl-; Prodox 146; NSC174502; 4-06-00-03493 (Beilstein Handbook Reference); 2,4-ditert-butylphenol; NSC 174502; ST5308551; 2,4-Di-tert-butylphenol; Phenol, 2,4-bis(1,1-dimethylethyl)-; NCGC00164059-01; 50356-26-8; 34785_FLUKA; BRN 1910383;2,4-di-tert-butylphenol;Antioxidant No. 33 |
C14H22O |
206.32 g/mol |
CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C |
|
TCMBANKIN059170 |
alpha-elemene |
α- elemene; α--elemene; α-Elemene; α-elemene;(6S)-6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidene-cyclohexene; (S)-6-Ethenyl-6-methyl-1-(1-methylethyl)-3-(1-methylethylidene)cyclohexene; 5951-67-7; (6S)-6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidenecyclohexene; (6S)-1-isopropyl-3-isopropylidene-6-methyl-6-vinyl-cyclohexene;(6S)-1-isopropyl-3-isopropylidene-6-methyl-6-vinylcyclohexene |
C15H24 |
204.35 g/mol |
CC(C)C1=CC(=C(C)C)CCC1(C)C=C |
|
TCMBANKIN059175 |
delta-elemene |
delta-Elemene; g-elemene; cyclohexene,4-ethenyl-4-methyl-3-[1-methylethenyl]-1-[1-methylethyl]-; δ- elemene |
C15H24 |
204.35 |
CC(C)C1=CC(C(CC1)(C)C=C)C(=C)C |
|
TCMBANKIN059195 |
(1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane |
(1S,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane |
C10H16 |
136.23 g/mol |
CC(C)C12CCC(=C)C1C2 |
|
TCMBANKIN059207 |
Epishyobunone |
epishyobunone; (2R,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-one; (2R,3S,6S)-2-isopropenyl-6-isopropyl-3-methyl-3-vinyl-cyclohexan-1-one; (2R,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-yl-cyclohexan-1-one; (2R,3S,6S)-2-isopropenyl-6-isopropyl-3-methyl-3-vinyl-1-cyclohexanone
(2S,3S,6S)-3-ETHENYL-6-ISOPROPYL-3-METHYL-2-(PROP-1-EN-2-YL)CYCLOHEXAN-1-ONE; MolPort-035-706-214; (2S,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-yl-cyclohexan-1-one; (+)-Shyobunone; CHEMBL1814552; BG00930849; W2226; (2S,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-one; (2S,3S,6S)-2-isopropenyl-6-isopropyl-3-methyl-3-vinyl-1-cyclohexanone; AKOS032962114; SHYOBUNONE; CHEBI:68148; 21698-44-2; shyobunone; AC1NT0E3; (2S,3S,6S)-2-isopropenyl-6-isopropyl-3-methyl-3-vinyl-cyclohexan-1-one; ZINC15150042;Shyobunone |
C15H24O |
220.35 |
CC(C)C1CCC(C(C1=O)C(=C)C)(C)C=C |
|
TCMBANKIN059208 |
trans-p-2-Menthen-1-ol |
(1S,4R)-4-isopropyl-1-methyl-cyclohex-2-en-1-ol; trans-p-2-menthen-1-ol; (1S,4R)-4-isopropyl-1-methyl-1-cyclohex-2-enol; (1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol; (1S,4R)-1-methyl-4-propan-2-yl-cyclohex-2-en-1-ol;2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, trans-; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)-rel-; (1R,4S)-4-isopropyl-1-methyl-cyclohex-2-en-1-ol; EINECS 249-859-5; trans-1-Methyl-4-(1-methylethyl)-2-cyclohexen-1-ol; 29803-81-4; (1R,4S)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol; (1R,4S)-1-methyl-4-propan-2-yl-cyclohex-2-en-1-ol; (1R,4S)-4-isopropyl-1-methyl-1-cyclohex-2-enol; 117064-02-5;trans-4-(Isopropyl)-1-methylcyclohex-2-en-1-ol |
C10H18O |
154.25 |
CC(C)C1CCC(C=C1)(C)O |
|
TCMBANKIN059217 |
beta-Bourbonene |
(-)-beta-Bourbonene;beta .-Bourbonene;(-)-β-Bour-bonene; Bourbonene, beta-; Cyclobuta(1,2:3,4)dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, (1S-(1alpha,3aalpha,3bbeta,6abeta,6balpha))-; β-bourbonene; Decahydroisopropylmethylmethylenecyclobuta(1,2:3,4)dicyclopentene; beta-bourbonene; 1,2,3,3a,3bbeta,4,5,6,6abeta,6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylenecyclobuta(1,2:3,4)dicyclopentene; Decahydro-3a-methyl-6-methylene-1-(1-methylethyl)cyclobuta(1,2:3,4)dicyclopentene, (1S-(1alpha,3aalpha,3bbeta,6abeta,6balpha))-; beta- Bourbonene; 13833-27-7; β- Bourbon ene; Cyclobuta(1,2:3,4)dicyclopentene, 1,2,3,3a,3bbeta,4,5,6,6abeta,6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylene |
C15H24 |
204.35 |
CC(C)C1CCC2(C1C3C2CCC3=C)C |
|
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 |
|
TCMBANKIN059258 |
dihydrocapsacine |
Dihydrocapsaicin; CHEBI:46932; Nonanamide, 8-methyl-N-vanillyl-; ZINC02522581; A813700; M1022_SIGMA; N-[(4-Hydroxy-3-methoxy-phenyl)methyl]-8-methyl-nonanamide; N-(4-hydroxy-3-methoxybenzyl)-8-methylnonanamide; N-[(3-methoxy-4-oxidanyl-cyclohexa-2,4-dien-1-yl)methyl]-8-methyl-non-6-enamide; NCGC00094119-02; TNP00314; ST057532; dihydrocapsaicin; 19408-84-5; 6,7-Dihydrocapsaicin; EU-0100782; NCGC00015645-01; N-(4-hydroxy-3-methoxy-benzyl)-8-methyl-pelargonamide; N-[(4-hydroxy-3-methoxy-1-cyclohexa-2,4-dienyl)methyl]-8-methyl-6-nonenamide; 8-Methyl-N-vanillylnonanamide; N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methylnonanamide; BRN 2815150; Dihydrocapsacine; Nonanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl- (9CI); Lopac0_000782; N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide; NCGC00015645-02; Lopac-M-1022; CCRIS 1589 |
C18H29NO3 |
307.4 g/mol |
CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN059271 |
2-methyl-propanol |
isobutanol;i-Butanol;2-methyl-l-propano;CCRIS 2300; 68989-27-5; Isobutanol or isobutyl alcohol [UN1212] [Flammable liquid]; 58450_FLUKA; CHEBI:46645; LS-1756; Isobutylalkohol; 442623_SUPELCO; FEMA No. 2179; UN1212; W217913_ALDRICH; 2-Methyl propanol; 2-methylpropanol; 33064_RIEDEL; NSC5708; InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H; 320048_SIAL; 294829_ALDRICH; 1-Hydroxymethylpropane; 2-Methylpropyl alcohol; AI3-01777; Fermentation butyl alcohol; 538132_ALDRICH; Isobutylalkohol [Czech]; Isobutyl alcohol (natural); 154687_SIAL; EINECS 273-552-5; i-Butyl alcohol; ZINC01687155; Iso-butyl alcohol; 82059_FLUKA; NCGC00091851-01; Isopropylcarbinol; HSDB 49; Isobutyl alcohol; NSC 5708; 78-83-1; Isobutanol; EINECS 201-148-0; 2-Methylpropan-1-ol; WLN: Q1Y1&1; iso-C4H9OH; BRN 1730878; Alcohols, C8-13-iso-; 2-Methylpropanol-1; 2-Methyl-1-propanol; Alcool isobutylique; 1-Propanol, 2-methyl-; 58448_FLUKA; 270466_ALDRICH; RCRA waste number U140; W217905_ALDRICH; 4-01-00-01588 (Beilstein Handbook Reference); Alcool isobutylique [French]; C14710; FEMA Number 2179; RCRA waste no. U140 |
C4H10O |
74.12 g/mol |
CC(C)CO |
|
TCMBANKIN059354 |
citronellol |
CHEBI:10360; 3,7 Dimethyl-6-octen-1-al; D-Dihydrogeraniol; MCULE-3946157075; (R)-Citronellol; 3,7-Dimethyl-(3R)-6-Octen-1-ol; FT-0623966; EINECS 214-250-5; AKOS028108897; FT-0772868; (+)-R-Citronellol; (+)-; (3S)-citronellol; (R)-3,7-Dimethyl-6-octen-1-ol; (+)-beta-Citronellol; (R)-beta-Citronellol; D-Citronellol; (R)-(+)-beta-Citronellol; ( inverted exclamation markA)-; (R)-(+)-beta-Citronellol, 98%; AN-20579; DB-060123; 6-Octen-1-ol, 3,7-dimethyl-, (R)-; (+)- -Citronellol; A-Citronellol; AI3-00204; LMPR0102010008; P01OUT964K; b-citronellol; SCHEMBL21321; AC1L2RWB; 3,7-Dimethyl-6-octen-1-ol #; CJ-05233; ZINC1531601; (+)-citronellol; UNII-P01OUT964K; 6-Octen-1-ol, 3,7-dimethyl-, (theta)-; NCGC00249168-01; l-Citronellol; (R)-(+)- -Citronellol; QMVPMAAFGQKVCJ-SNVBAGLBSA-N; CITRONELLOL 70; MFCD00063215; (3R)-3,7-dimethyloct-6-en-1-ol; UNII-565OK72VNF component QMVPMAAFGQKVCJ-SNVBAGLBSA-N; (R)-3,7-Dimethyloct-6-en-1-ol; J-511419; (R)-(+)-; (R)-(+)-.beta.-Citronellol; CHEMBL1907993; (R)-(+)-beta -Citronellol; MolPort-002-535-711; 6-Octen-1-ol, 3,7-dimethyl-, (3R)-; CITRONELLOL 95; AC1Q7BSO; CIRTONELLOL 90/92; 3,7-Dimethyl-(R)-6-Octen-1-ol; FT-0623965; beta-Citronellol, (R)-; CJ-24101; (R)-3,7-dimethyl-6-octenol; C09849; (R)-(+)-Citronellol; 1117-61-9; A-Citronellol3,7-Dimethyl-6-octen-1-ol; STOCK1N-68491
CHEBI:10360; EINECS 214-250-5; (R)-3,7-Dimethyl-6-octen-1-ol; 303461_ALDRICH; (R)-()-beta-Citronellol; 6-Octen-1-ol, 3,7-dimethyl-, (R)-; AI3-00204; β- citronellol; 6-Octen-1-ol, 3,7-dimethyl-, (theta)-; LMPR01020056; (3R)-3,7-dimethyloct-6-en-1-ol; ZINC01531601; (R)-3,7-Dimethyloct-6-en-1-ol; 6-Octen-1-ol, 3,7-dimethyl-, (3R)-; 106-22-9; C09849; (R)-(+)-Citronellol; 1117-61-9; STOCK1N-68491
C11386; (3S)-3,7-dimethyloct-6-en-1-ol; 303488_ALDRICH; LMPR01020076; LS-2078; Citronellol (ex. Java citronella oil) (natural); (-)-Citronellol; NSC 8779; CCRIS 7452; W509205_ALDRICH; 1335-43-9; EINECS 203-375-0; Citronellol (natural); (−)-beta-Citronellol; (S)-3,7-Dimethyl-6-octen-1-ol; (S)-(−)-beta-Citronellol; BRN 1721507; ZINC01532246; 7540-51-4; AI3-25080; 26489-01-0; 4-01-00-02188 (Beilstein Handbook Reference); FEMA No. 2309; 27483_FLUKA;beta-Citronellol;
beta-Rhodinol;
cephrol |
C10H20O |
156.27 |
CC(CCC=C(C)C)CCO |
|
TCMBANKIN059355 |
citronellyl acetate |
BSPBio_003127; KBioGR_002371; Spectrum5_000468; Spectrum2_000692; KBio1_001487; SPECTRUM310030; ZINC01680438; DivK1c_006543; Spectrum4_001874; KBio2_006799; KBio3_002347; SpecPlus_000447; acetic acid [(3R)-3,7-dimethyloct-6-enyl] ester; Spectrum_001183; [(3R)-3,7-dimethyloct-6-enyl] ethanoate; SPBio_000843; KBioSS_001663; SDCCGMLS-0066592.P001; Spectrum3_001344; KBio2_001663; KBio2_004231;6-Octen-1-ol,3,7-dimethyl-,acetate;itronellol acetate;[(3R)-3,7-dimethyloct-6-enyl] acetate;AJ-33256; (-)-3,7-Dimethyloct-6-enyl acetate; 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, (3S)-; UNII-78RZL4H51H; Citronellol acetate, (S)-; (s)-citronellyl acetate; CJ-32447; 67601-05-2; CJ-07629; UNII-IZ420RT3OY component JOZKFWLRHCDGJA-NSHDSACASA-N; ZINC2040946; EINECS 266-767-0; [(3S)-3,7-dimethyloct-6-enyl] acetate; AC1OE5SZ; 6-Octen-1-ol, 3,7-dimethyl-, acetate, (3S)-; (?)-Citronellol acetate; 78RZL4H51H |
C12H22O2 |
198.3 g/mol |
CC(CCC=C(C)C)CCOC(=O)C |
|
TCMBANKIN059356 |
6-methyl-5-hepten-2-ol |
METHYL HEPTENOL; NCGC00357173-01; NSC 66273; LMFA05000566; (R)-Sulcatol; FT-0621225; I14-51311; I14-63553; 6-Methyl-5-hepten-2-ol, 99%; 4630/6/2; C07288; TR-006586; MFCD00004561; EINECS 216-377-1; 6-Methyl-5-hepten-2-ol, >=99%, FG; RTR-006586; NSC66273; (+/-)-6-Methyl-5-Hepten-2-ol; 6-METHYL-5-HEPTEN-2-OL; DSSTox_CID_30309; CTK3J6668; OHEFFKYYKJVVOX-UHFFFAOYSA-N; ACMC-20apkw; ACMC-20apg8; CHEBI:15833; KB-199570; AI3-25074; 6-Hydroxy-2-methyl-2-heptene; SCHEMBL195482; 2-Methyl-2-hepten-6-ol; 1569-60-4; (^+)-6-Methyl-5-hepten-2-ol, 98%; CAS-1569-60-4; I14-40823; Tox21_303934; 5-Hepten-2-ol, 6-methyl-; (.+/-.)-6-Methyl-5-hepten-2-ol; (R)-(-)-6-METHYL-5-HEPTEN-2-OL; DTXSID8051754; 6-Methylhept-5-en-2-ol; SBB008067; DB-064153; FR-0834; DSSTox_GSID_51754; 6-methyl-hept-5-en-2-ol; NSC-66273; AN-19739; AC1L2GWR; dl-6-Methyl-5-hepten-2-ol; Sulcatol; J-009359; AKOS008996527; 6-methyl-hept-5-en-2-ol; 5-hepten-2-ol,6-methyl |
C8H16O |
128.21 g/mol |
CC(CCC=C(C)C)O |
|
TCMBANKIN059438 |
2-methoxy-4-propenyl phenol |
|
C10H12O2 |
164.2 g/mol |
CC=CC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN059452 |
ethyl aldehyde |
|
C2H4O |
44.05 g/mol |
CC=O |
|
TCMBANKIN059521 |
B- pinene;pinene;T-pinene;(-)-nopinene;beta-pinene;bicyclo[3.1.1]heptane,6,6-dimethyl-2-methylene-,(1s);1-β-pinene;()-beta-Pinene;(-)- β- pinene;laevo- β- Pinene |
|
C10H16 |
136.23 g/mol |
CC1(C2CCC(=C)C1C2)C |
|
TCMBANKIN059527 |
(+)-Camphene |
|
C10H16 |
136.23 g/mol |
CC1(C2CCC(C2)C1=C)C |
|
TCMBANKIN059531 |
eucalyptol |
|
C10H18O |
154.25 g/mol |
CC1(C2CCC(O1)(CC2)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 |
|
TCMBANKIN059533 |
borneol |
|
C10H18O |
154.25 g/mol |
CC1(C2CCC1(C(C2)O)C)C |
|
TCMBANKIN059536 |
α-fenchene |
|
C10H16 |
136.23 g/mol |
CC1(C2CCC1C(=C)C2)C |
|
TCMBANKIN059560 |
8-o-z-p-methoxycinnamoylharpagide |
|
C25H32O12 |
|
CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC=C(C=C4)OC |
|
TCMBANKIN059612 |
3-oxo-olean-12-en-28-oicacid |
|
C30H46O3 |
454.7 g/mol |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C(=O)O)C |
|
TCMBANKIN059661 |
(e)-8β,17-epoxylabd-12-ene-15,16-dial |
|
C20H30O3 |
|
CC1(CCCC2(C1CCC3(C2CC=C(CC=O)C=O)CO3)C)C |
|
TCMBANKIN059704 |
beta-citraurin |
|
C30H40O2 |
432.64 g/mol |
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C |
|
TCMBANKIN059724 |
Phenol, 2-methyl-5-(1-methylethyl) |
|
C10H14O |
150.22 g/mol |
CC1=C(C=C(C=C1)C(C)C)O |
|
TCMBANKIN059728 |
3,4-dimethyl-styrene |
|
C10H12 |
132.2 g/mol |
CC1=C(C=C(C=C1)C=C)C |
|
TCMBANKIN059818 |
gamma-eudesmol |
|
C15H26O |
222.37 g/mol |
CC1=C2CC(CCC2(CCC1)C)C(C)(C)O |
|
TCMBANKIN059836 |
thymol |
|
C10H14O |
150.22 |
CC1=CC(=C(C=C1)C(C)C)O |
|
TCMBANKIN059840 |
2,5-dimethylbenzaldehyde |
|
C9H10O |
134.18 |
CC1=CC(=C(C=C1)C)C=O |
|
TCMBANKIN059881 |
(+-)-car-3-ene-2,5-dione |
|
C10H12O2 |
164.2 g/mol |
CC1=CC(=O)C2C(C1=O)C2(C)C |
|
TCMBANKIN059902 |
1-Methyl-4-isopropenyl-benzene |
|
C10H12 |
132.2 g/mol |
CC1=CC=C(C=C1)C(=C)C |
|
TCMBANKIN059904 |
p-cymen-alpha-ol |
|
C10H14O |
150.22 g/mol |
CC1=CC=C(C=C1)C(C)(C)O |
|
TCMBANKIN059905 |
p-isopropyltoluene;4-Isopropyltoluene;cymene;1-methyl-4-(1-methylethyl)benzene;Cymol;Para cymene;4-Cymol;p-cymene;Dolcymene |
|
C10H14 |
134.22 g/mol |
CC1=CC=C(C=C1)C(C)C |
|
TCMBANKIN059907 |
(+)-alpha-Curcumene |
|
C15H22 |
202.33 g/mol |
CC1=CC=C(C=C1)C(C)CCC=C(C)C |
|
TCMBANKIN059914 |
alpha-terpinene |
|
C10H16 |
136.23 |
CC1=CC=C(CC1)C(C)C |
|
TCMBANKIN059917 |
methylbenzol |
|
C6H5CH3 |
92.14 g/mol |
CC1=CC=CC=C1 |
|
TCMBANKIN059921 |
o- Cymene |
|
C10H14 |
134.22 g/mol |
CC1=CC=CC=C1C(C)C |
|
TCMBANKIN059956 |
himachalene |
|
C15H24 |
204.35 g/mol |
CC1=CC2C(=C(CCCC2(C)C)C)CC1 |
|
TCMBANKIN059959 |
.alpha.-Carene |
|
C10H16 |
136.23 |
CC1=CC2C(C2(C)C)CC1 |
|
TCMBANKIN059960 |
(-)-g-cadinene |
|
C15H24 |
204.35 g/mol |
CC1=CC2C(CC1)C(=C)CCC2C(C)C |
|
TCMBANKIN059962 |
cadinen;α-Cadinene;1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene;1,2,4A,5,6,8A-hexahydro--4,7-dimethyl-(1-methylethyl)-naphthalene;muurolene;1,2,4a,5,6,8a- hexhydro- 4,7- dimethyl- 1-(1- methylethyl)-(1alpha 4a． alpha．,8a alpha． )- naphthalene;alpha cadinene;α-muurolene |
|
C15H24 |
204.35 g/mol |
CC1=CC2C(CC1)C(=CCC2C(C)C)C |
|
TCMBANKIN059964 |
α-cadinol |
|
C15H26O |
222.37g/mol |
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C |
|
TCMBANKIN059967 |
germacrone |
|
C15H22O |
218.33 |
CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C |
|
TCMBANKIN059969 |
Limene |
|
C15H24 |
204.35 |
CC1=CCC(=C(C)CCC=C(C)C)CC1 |
|
TCMBANKIN059970 |
1, 4-Cyclohexadiene, 1-methyl-4-(1-methylethyl);crithmene;4-Isopropyl-1-methyl-1,4-cyclohexadiene;Moslene;gamma-terpinene |
|
C10H16 |
136.23 g/mol |
CC1=CCC(=CC1)C(C)C |
|
TCMBANKIN059971 |
beta-Curcumene |
|
C10H16 |
136.23 |
CC1=CCC(=CC1)C(C)CCC=C(C)C |
|
TCMBANKIN059975 |
β-humulene |
|
C15H24 |
204.35 |
CC1=CCC(C=CCC(=C)CCC1)(C)C |
|
TCMBANKIN059978 |
santamarine |
|
C15H20O3 |
248.32 |
CC1=CCC(C2(C1C3C(CC2)C(=C)C(=O)O3)C)O |
|
TCMBANKIN059980 |
4-methyl-1-isopropyl-3-cyclohexen-1-ol |
|
C10H18O |
154.25 g/mol |
CC1=CCC(CC1)(C(C)C)O |
|
TCMBANKIN059982 |
d-limonene |
|
C10H16 |
136.23 g/mol |
CC1=CCC(CC1)C(=C)C |
|
TCMBANKIN059983 |
β-bisabolene |
|
C15H24 |
204.35 g/mol |
CC1=CCC(CC1)C(=C)CCC=C(C)C |
|
TCMBANKIN059985 |
alpha-terpinol |
|
C10H18O |
154.25 g/mol |
CC1=CCC(CC1)C(C)(C)O |
|
TCMBANKIN059988 |
()-p-Menth-1-ene |
|
C10H18 |
138.25 g/mol |
CC1=CCC(CC1)C(C)C |
|
TCMBANKIN060000 |
carotol |
|
C15H26O |
222.37 |
CC1=CCC2(CCC(C2(CC1)O)C(C)C)C |
|
TCMBANKIN060009 |
copaene; (-)-Alpha-Copaene; α-copaene |
|
C15H24 |
204.35 g/mol |
CC1=CCC2C3C1C2(CCC3C(C)C)C |
|
TCMBANKIN060012 |
alpha-bergamotene |
|
C15H24 |
204.35 g/mol |
CC1=CCC2CC1C2(C)CCC=C(C)C |
|
TCMBANKIN060014 |
Germacrene D |
|
C15H24 |
204.35 g/mol |
CC1=CCCC(=C)C=CC(CC1)C(C)C |
|
TCMBANKIN060019 |
Germacrene B |
|
C15H24 |
204.35 |
CC1=CCCC(=CCC(=C(C)C)CC1)C |
|
TCMBANKIN060032 |
alpha-Eudesmol |
|
C15H26O |
222.37 |
CC1=CCCC2(C1CC(CC2)C(C)(C)O)C |
|
TCMBANKIN060116 |
zingiberol |
|
C15H26O |
222.37 g/mol |
CC12CCCC(=C)C1CC(CC2)C(C)(C)O |
|
TCMBANKIN060146 |
3-o-acetyl-2-o-(p-hydroxycinnamoyl)-α-l-rhamnose |
|
C17H20O8 |
352.3 g/mol |
CC1C(C(C(C(O1)O)OC(=O)C=CC2=CC=C(C=C2)O)OC(=O)C)O |
|
TCMBANKIN060332 |
thujene |
|
C10H16 |
136.23 g/mol |
CC1C=CC2(C1C2)C(C)C |
|
TCMBANKIN060444 |
zonarene |
|
C15H24 |
204.35 g/mol |
CC1CCC(=C2C1CCC(=C2)C)C(C)C |
|
TCMBANKIN060445 |
delta3-menthene |
|
|
|
CC1CCC(=CC1)C(C)C |
|
TCMBANKIN060458 |
cubenol |
|
C15H26O |
222.37 |
CC1CCC(C2C1(CCC(=C2)C)O)C(C)C |
|
TCMBANKIN060459 |
1,4-diene juniper |
|
C15H24 |
|
CC1CCC(C2C1=CCC(=C2)C)C(C)C |
|
TCMBANKIN060460 |
b-Cubebene |
|
C15H24 |
204.35 g/mol |
CC1CCC(C2C13C2C(=C)CC3)C(C)C |
|
TCMBANKIN060468 |
(+)-calaren |
|
C15H24 |
204.35 |
CC1CCC=C2C1(C3C(C3(C)C)CC2)C |
|
TCMBANKIN060566 |
β-patchoulene |
|
C15H24 |
204.35 |
CC1CCC2=C1CC3CCC2(C3(C)C)C |
|
TCMBANKIN060575 |
alpha-gurjunene |
|
C15H24 |
204.35 g/mol |
CC1CCC2C(C2(C)C)C3=C(CCC13)C |
|
TCMBANKIN060593 |
()-Aromadendrene;(+)-aromadendrene |
|
C15H24 |
204.35 |
CC1CCC2C1C3C(C3(C)C)CCC2=C |
|
TCMBANKIN060604 |
aristolene;9-aristolene |
|
C15H24 |
204.35 |
CC1CCCC2=CCC3C(C12C)C3(C)C |
|
TCMBANKIN060633 |
PPI |
|
C3H6O2 |
74.08 g/mol |
CCC(=O)O |
|
TCMBANKIN060636 |
ethylpropionate |
|
C5H10O2 |
102.13 g/mol |
CCC(=O)OCC |
|
TCMBANKIN060679 |
stigmasterol |
|
C29H48O |
412.7 g/mol |
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
|
TCMBANKIN060691 |
poriferast-5-en-3beta-ol;22,23-dihydrostigmasterol;gamma-sitosterol;clionasterol;beta-dihydrofucosterol |
|
C29H50O |
414.71 g/mol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
|
TCMBANKIN060721 |
propionaldehyde |
|
C3H6O |
58.08 g/mol |
CCC=O |
|
TCMBANKIN060777 |
1-(4-hydroxy-3-methoxyphenyl)-3,5-diacetoxyctane |
|
C19H28O6 |
352.47 |
CCCC(CC(CCC1=CC(=C(C=C1)O)OC)OC(=O)C)OC(=O)C |
|
TCMBANKIN060795 |
Butal |
|
C4H8O |
72.11 g/mol |
CCCC=O |
|
TCMBANKIN060827 |
Valeraldehyde |
|
C5H10O |
86.13g/mol |
CCCCC=O |
|
TCMBANKIN060835 |
(5S)-5-butyloxolan-2-one |
|
C8H14O2 |
142.2 |
CCCCC1CCC(=O)O1 |
|
TCMBANKIN060844 |
6-Gingerdione |
|
C17H24O4 |
292.37g/mol |
CCCCCC(=O)CC(=O)CCC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN060856 |
gingerol;6-gingerol;[6]-gingerol |
|
C17H26O4 |
294.39 g/mol |
CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O |
|
TCMBANKIN060857 |
6-gingediacetate |
|
C21H32O6 |
380.5 g/mol |
CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)OC(=O)C)OC(=O)C |
|
TCMBANKIN060858 |
6-methylgingediacetate2 |
|
C22H34O6 |
394.5 g/mol |
CCCCCC(CC(CCC1=CC(=C(C=C1)OC)OC)OC(=O)C)OC(=O)C |
|
TCMBANKIN060862 |
shogaol |
|
C17H24O3 |
276.4 g/mol |
CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN060879 |
Linolic acid |
|
C18H32O2 |
280.4 g/mol |
CCCCCC=CCC=CCCCCCCCC(=O)O |
|
TCMBANKIN060888 |
caproaldehyde |
|
C6H12O |
100.16 g/mol |
CCCCCC=O |
|
TCMBANKIN060896 |
Heptan |
|
C7H16 |
100.2 |
CCCCCCC |
|
TCMBANKIN060922 |
Octane |
|
C8H18 |
114.23 g/mol |
CCCCCCCC |
|
TCMBANKIN060924 |
Paradol |
|
C17H26O3 |
278.4 g/mol |
CCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN060929 |
(8)-Gingerol |
|
C19H30O4 |
322.44g/mol |
CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O |
|
TCMBANKIN060931 |
8-shogaol;(E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one |
|
C19H28O3 |
304.4 g/mol |
CCCCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN060934 |
dec-2-enal |
|
C10H18O |
154.25g/mol |
CCCCCCCC=CC=O |
|
TCMBANKIN060942 |
nonane |
|
C9H20 |
128.26 |
CCCCCCCCC |
|
TCMBANKIN060944 |
nonanoic acid |
|
C9H18O2 |
158.24 g/mol |
CCCCCCCCC(=O)O |
|
TCMBANKIN060978 |
Mnk |
|
C11H22O |
170.29 |
CCCCCCCCCC(=O)C |
|
TCMBANKIN060987 |
[10]-gingerol |
|
C21H34O4 |
350.49 g/mol |
CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O |
|
TCMBANKIN060988 |
10-gingediol;[10]-gingediol |
|
C21H36O4 |
|
CCCCCCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O |
|
TCMBANKIN060994 |
capraldehyde |
|
C10H20O |
156.26 g/mol |
CCCCCCCCCC=O |
|
TCMBANKIN061005 |
TRIDECANONE |
|
C13H26O |
198.34g/mol |
CCCCCCCCCCCC(=O)C |
|
TCMBANKIN061006 |
lauric acid |
|
C12H24O2 |
200.32 |
CCCCCCCCCCCC(=O)O |
|
TCMBANKIN061008 |
lauric acid,ethyl ester |
|
C14H28O2 |
228.37 g/mol |
CCCCCCCCCCCC(=O)OCC |
|
TCMBANKIN061016 |
tridecane |
|
C13H28 |
184.36 g/mol |
CCCCCCCCCCCCC |
|
TCMBANKIN061105 |
Eicosanoic acid |
|
C20H40O2 |
312.53 g/mol |
CCCCCCCCCCCCCCCCCCCC(=O)O |
|
TCMBANKIN061128 |
n-tetracosanoic acid |
|
C24H48O2 |
368.64 g/mol |
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O |
|
TCMBANKIN061139 |
n-nonacosane |
|
C29H60 |
408.79 g/mol |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
|
TCMBANKIN061150 |
1-hentriacontanol |
|
C31H64O |
452.8 g/mol |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
|
TCMBANKIN061187 |
1-octanol |
|
C8H18O |
130.23 g/mol |
CCCCCCCCO |
|
TCMBANKIN061205 |
WLN: 4OVR |
|
C11H14O2 |
178.23 g/mol |
CCCCOC(=O)C1=CC=CC=C1 |
|
TCMBANKIN061207 |
Di-n-butyl phthalate |
|
C16H22O4 |
278.34 g/mol |
CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC |
|
TCMBANKIN061221 |
n-propanol |
|
C3H8O |
60.1 g/mol |
CCCO |
|
TCMBANKIN061244 |
OXA |
|
C2H6O |
46.07 |
CCO |
|
TCMBANKIN061272 |
9-Ethoxyaristololactam |
|
C19H15NO5 |
337.33 g/mol |
CCOC1=C2C3=C(C4=C1C(=CC=C4)OC)C5=C(C=C3C(=O)N2)OCO5 |
|
TCMBANKIN061279 |
Diethyl ether |
|
C4H10O |
74.12 g/mol |
CCOCC |
|
TCMBANKIN061473 |
Isovanillin |
3-Hydroxy-4-anisaldehyde; 3-Hydroxy-4-methoxybenzaldehyde; FT-0615821; ANW-34085; 4-Methoxy-3-hydroxy-benzaldehyde; DSSTox_RID_83498; ACMC-209n07; 4-methoxy-5-hydroxybenzaldehyde; NCGC00247609-01; BR-26987; SMR000156287; 143685_ALDRICH; BG01499429; CHEMBL275563; AK-26987; SBB008245; SC-05820; Q-100718; 3-Hydroxy-4-methoxybenzaldehyde; 3-hydroxy-4-anisaldehyde; MCULE-7646011311; 621-59-0; PubChem7770; F1995-0251; RTC-060637; 3-hydroxy-4-methoxy- benzaldehyde; 3-hydroxy-4-methoxy- benzaldehyde;BB_NC-2245; 3-Hydroxyanisaldehyde; AJ-16240; DSSTox_GSID_49423; 4A9N90H9X6; PS-4589; Isovanilline; 3-Hydroxy-para-anisaldehyde; MolPort-000-146-016; 3-hydroxy-4methoxy-benzaldehyde; NSC82996; SCHEMBL70256; BC204204; JVTZFYYHCGSXJV-UHFFFAOYSA-N; Tox21_202858; 4-Methoxy-3-hydroxybenzaldehyde; KS-000002MN; DTXSID7049423; 3-hydroxy-4-methoxy benzaldehyde; p-Anisaldehyde, 3-hydroxy- (8CI); Benzaldehyde, 3-hydroxy-4-methoxy-; AN-15747; D0E9CD; EBD684885; isovanillin; I0519; LS10550; A833619; 59927_FLUKA; HMS3348H19; Isovanicaline; 4-methoxy-3-oxidanyl-benzaldehyde; 3-Hydroxy-4-methoxy-benzaldehyde; LS-25072; 4-08-00-01764 (Beilstein Handbook Reference); HMS2194I16; AC-541; KSC354M3B; ZINC164617; Isovanillin, >=95.0%; ISOVANILLIN; ST50213460; I01-0153; BBL023550; NCGC00260404-01; BG00600677; NSC 82996; WLN: VHR CQ DO1; isovanilin; BRN 1073021; NSC-82996; 3-hydroxy-4-methoxy-benzaldehyde; CJ-02189; ZB008229; MLS000574853; Oxy-3 methoxy-4 benzaldehyde; DSSTox_CID_29383; CS-W009023; NCIOpen2_001085; 3-Hydroxy-4-methoxybenzaldehyde, 99%; DB-010058; 3-Hydroxyanisaldehyde; Isovanillin; 59940_FLUKA; ST24022906; AC1Q469E; STK400134; TRA0093875; InChI=1/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H; AKOS000120260; 3-hydroxy4-methoxybenzaldehyde; M-6105; CAS-621-59-0; TC-060637; TL8004050; AB1002458; CM13992; Oxy-3 methoxy-4 benzaldehyde [French]; p-Anisaldehyde, 3-hydroxy-; CTK2F4630; iso-Vanillin; AC1L1YWO; 5-Formylguaiacol; FT-0615853; 21I590; isovaniline; ZINC00164617; RP21587; KB-32136; BDBM50240367; 3-Hydroxy-p-anisaldehyde; P-Anisaldehyde, 3-hydroxy-(8CI); UNII-4A9N90H9X6; EINECS 210-694-9; MFCD00003369 |
C8H8O3 |
152.15 |
COC1=C(C=C(C=C1)C=O)O |
|
TCMBANKIN061508 |
methyleugenol |
29T9VA6R7M; 1,4-Eugenol methyl ether; DSSTox_RID_77851; FEMA No. 2475; MLS001333206; ST24043178; ST50330558; Benzene,2-dimethoxy-4-(2-propenyl)-; FR-0577; NCGC00254085-01; CTK3J0502; HMS2269M09; HSDB 4504; 3,4-Dimethoxyallyl benzene; NSC-8900; Tox21_202347; ENT 21040; SBB007916; NCGC00091474-04; C10454; o-Methyl eugenol ether; NSC209528; ACMC-209rk6; MolPort-000-154-691; Eugenyl methyl ether; AS-14807; Tox21_300071; STK801819; Benzene, 4-allyl-1,2-dimethoxy-; CAS-93-15-2; NSC 209528; AK162493; FEMA Number 2475; Methyl eugenol, analytical standard; NSC8900; TRA0076734; Methyleugenol; LS-29885; AC1L1O2J; BRN 1911284; MLS001065600; 2-Methoxy-4-propenylphenol methyl ether; 3-06-00-04995 (Beilstein Handbook Reference); cis-Methyl isoeugenol; W247502_ALDRICH; RTR-029187; 1-(3, 4-Dimethoxyphenyl)-2-propene; DSSTox_CID_5607; 10005-561a; methyl eugenol; 3-(3,4-dimethoxyphenyl)-1-propene; O-Methyl eugenol; NSC-209528; CHEMBL108861; 4-Allylveratrol; SMR000112378; Methyl eugenol; W-100251; 1-(3,4-Dimethoxyphenyl)-2-propene; BG00601894; 1,2-dimethoxy-4-prop-2-enylbenzene; ZINC388674; 4-Allylveratrole; BB_NC-0711; 4-06-00-06337 (Beilstein Handbook Reference); CCRIS 746; Allyl-1,2-dimethoxybenzene; Allylveratrol; ZINC00388674; Methy l eugenyl ether; Dimethoxy-4-(2-propenyl)benzene; DSSTox_GSID_25607; EC 202-223-0; 1, 2-Dimethoxy-4-(2-propenyl)benzene; Methyl eugenol ether; M664; Benzene, 1,2-dimethoxy-4-propenyl-, (Z)-; BDBM50379791; 46110_FLUKA; Caswell No. 579AB; 1,2-Dimethoxy-4-allyl benzene; AIDS-224738; FT-0626371; METHYLEUGENOL; 1,3,4-Eugenol methyl ether; DTXSID5025607; AIDS224738; Eugenol methyl ether; Methyleugenol (4-Allyl-1,2-dimethoxybenzene); WLN: 1U2R CO1 DO1; Benzene, 1,2-dimethoxy-4-(2-propenyl)-; C11H14O2; NCGC00259896-01; 6380-24-1; KS-000001JX; 93-15-2; MFCD00008652; BBL027720; 284424_ALDRICH; ZYEMGPIYFIJGTP-UHFFFAOYSA-N; 1,2-dimethoxy-4-(prop-2-en-1-yl)benzene; Benzene, 4-(2-propenyl)-1,2-dimethoxy; BRN 1910871; TR-029187; Methyl Eugenol Natural; DB-002806; 1,2-dimethoxy-4-prop-2-enyl-benzene; 4-Allyl-1,2-dimethoxybenzene; EINECS 202-223-0; KB-177539; 1,2-Dimethoxy-4-allylbenzene; SCHEMBL10108224; AN-24255; LS-15; Veratrole methyl ether; AC1Q46TK; NCGC00091474-01; AC1Q4FDV; BBV-39688198; 1,2-Dimethoxy-4-(2-propen-1-yl)benzene; NCGC00091474-02; 4-Allyl-1,2-dimethoxybenzene, 99%; 3,4-Dimethoxyallylbenzene; MLS001333205; BB_NC-00711; ANW-39988; 1,2-Dimethoxy-4-(2-propenyl)benzene; methyl eugenol ; 4-Allyl-1,2-dimethyoxybenzene; EPA Pesticide Chemical Code 203900; AKOS015838877; FEMA 2475; cis-4-Propenyl veratrole; Methyl eugenol, >=98%, FCC; CHEBI:4918; 4-allyl-1,2-dimethoxy-benzene; AX8129901; Eugenol methyl; UNII-29T9VA6R7M; Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-; Eugenol methylether; SCHEMBL113794; NCGC00091474-03; AI3-21040; 1-Allyl-3,4-dimethoxybenzene; 4-Allyl-1, 2-dimethoxybenzene; Methyl eugenyl ether; O-Methyleugenol;eugenyl methylether;Benzene, 1,2-dimethoxy-4-(2-propenyl)-;eugenol methyl ether;1,2-dimethoxy-4-(2-propenyl)benzene;Methyleugenol-;SCHEMBL219169;1,2-Dimethoxy-4-(2-propenyl)benzene |
C11H14O2 |
178.23g/mol |
COC1=C(C=C(C=C1)CC=C)OC |
|
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 |
|
TCMBANKIN061634 |
1-(4-hydroxy-3-methoxyphenyl-2-[4-(omega-hydroxypropyl)-2-methoxyphenoxy]-propane-1,3-diol |
1-(4-hydroxy-3-methoxyphenyl-2-[4-(ω-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol; 1-(4-hydroxy-3-methoxyphenyl)-2-[4-([omega]hydroxypropyl)-2-methoxyphenoxy]-l,3-propanediol |
C20H26O7 |
|
COC1=C(C=CC(=C1)CCCO)OC(CO)C(C2=CC(=C(C=C2)O)OC)O |
|
TCMBANKIN061647 |
(-)-nissolin |
(-)-Nissolin; CHEBI:105; (6aR,11aR)-10-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol; LMPK12070051; AC1L9DFW; 73340-42-8; (?)-Nissolin; C10508; DTXSID80331960; (?)-nissolin |
C16H14O5 |
286.28 g/mol |
COC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4)O)O |
|
TCMBANKIN061695 |
Majudin |
Spectrum2_000534; 5-19-06-00004 (Beilstein Handbook Reference); 4-methoxyfuro[3,2-g]chromen-7-one; Spectrum3_000663; KBio3_001545; CCRIS 4348; KBioGR_002055; 4-methoxy-7-furo[3,2-g]chromenone; DivK1c_000529; NCGC00091582-01; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-; KBio2_001274; TNP00299; NINDS_000529; Bergapten; Spectrum5_000155; EINECS 207-604-5; KBio1_000529; 4-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one; KBioSS_001274; ACon0_000984; AIDS031096; 4-methoxy-7H-furo[3,2-g]chromen-7-one; HSDB 3466; 5-Methoxypsoralen; Spectrum_000794; KBio2_003842; BSPBio_002325; MEGxp0_000990; 65320_FLUKA; BRN 0019560; 5-Mop; 6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, gamma-lactone; NCGC00091582-02; Bergaptene; 5-Methoxy psoralen; NCI60_042121; 5-Methoxy-6,7-furanocoumarin; KBio2_006410; 4-Methoxy-furo[3,2-g]chromen-7-one; IDI1_000529; Bergapten(e); BAS 00674110; ACon1_001979; SPBio_000547; 5-Methoxypsoralen with ultraviolet A therapy; BERGAPTAN; Psoraderm; SDCCGMLS-0066492.P001; NSC95437; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-; ST057259; ZINC00057731; InChI=1/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H; C01557; Heraclin; NCGC00091582-03; 4-Methoxyfuro[3,2-g]benzopyrane-7-one; 275727_ALDRICH; Spectrum4_001478; SPECTRUM300546; O-Methylbergaptol; 5-Methoxyfuranocoumarin; NSC 95437; NCGC00017357-01; AIDS-031096; 484-20-8; Oprea1_562364; 5-methoxypsoralen; bergapten;5-19-06-00004 (Beilstein Handbook Reference); AB00052148_06; V0122; DivK1c_000529; NCGC00259906-01; KBio2_001274; EINECS 207-604-5; Geralen; SR-05000002173; KBio1_000529; KBioSS_001274; Majudin; 4-Methoxy-7H-furo[3,2-g]chromen-7-one #; 4-Methoxy-7H-furo[3,2-g]chromen-7-one; HMS501K11; 5-Methoxypsoralen, 99%; SMR000112435; NCGC00017357-03; NCGC00017357-07; CAS-484-20-8; B2840; AK134854; KS-00000GSD; TR-017690; Bergapten(e); NCGC00017357-04; BAS 00674110; CC-24574; C-11626; BERGAPTAN; Psoraderm; D07521; SDCCGMLS-0066492.P001; BRD-K12968785-001-03-4; MLS002207272; 5-Methoxypsoralen (Bergapten); InChI=1/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H; Bergaptene (DCF); 5-methoxy-psoralen; Pentaderm (TN); SPECTRUM300546; HY-N0370; ANW-42611; 5-Methoxypsoralen (obsol.); 5-Methoxy psoralen; KBioGR_002055; Oprea1_562364; Tox21_303255; NCGC00178705-02; Q-100536; Spectrum3_000663; BRD-K12968785-001-02-6; 4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one; NCGC00017357-08; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-; ZINC57731; TNP00299; Bergapten; BDBM50067880; Spectrum5_000155; NSC755877; 4-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one; AB00052148_07; DS-2970; Spectrum_000794; KBio2_003842; 5-methoxy-2H-furo[3,2-g]chromen-2-one; BRN 0019560; NCGC00178705-01; 5-Mop; UNII-4FVK84C92X; M-9412; NCGC00091582-02; HMS2268M24; CHEBI:18293; CS-2234; 5 methoxypsoralen; 5-methoxypsoralen ; 5-Methoxy-6,7-furanocoumarin; KBio2_006410; NCGC00017357-05; SR-05000002173-5; CCG-39946; 5-Methoxypsoralen with ultraviolet A therapy; DSSTox_CID_5560; NSC95437; CJ-00484; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-; ST057259; 6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, .gamma.-lactone; NCGC00017357-02; N1304; AC1Q47BC; NCGC00091582-03; SBI-0051583.P002; 4-Methoxy-7H-furo[3,2-g]benzopyran-7-one; NSC 95437; 5-methoxyfurano[3,2-g]chromen-2-one; bergaptene; 484-20-8; CTK3J2399; s4239; Spectrum2_000534; Pentaderm; 4FVK84C92X; KBio3_001545; HMS3652F19; ST2411501; NINDS_000529; STK333038; MCULE-7768334865; NCGC00017357-06; HSDB 3466; 5-Methoxypsoralen; BSPBio_002325; CB-1199; 6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, gamma-lactone; BGEBZHIAGXMEMV-UHFFFAOYSA-N; I14-13388; MFCD00010272; bmse000758; IDI1_000529; AB0019675; DB12216; 4-Methoxyfuro[3,2-g]benzopyrane-7-one; 4-Methoxyfuro[3,2-g]benzopyran-7-one; O-Methylbergaptol; 484B208; RTR-017690; NCGC00091582-04; SC-46077; AKOS000276715; SR-05000002173-3; CCRIS 4348; DSSTox_GSID_25560; 4-methoxyfuro[3,2-g]chromen-7-one; ZB002242; DTXSID1025560; NSC-755877; NCGC00091582-01; 5-methoxypsoralene; AX8014410; A827532; AJ-09777; ACon0_000984; Tox21_202357; HMS1923G13; FT-0603416; MEGxp0_000990; AC1L1DHU; MolPort-000-880-879; NSC-95437; 4CN-0945; NCI60_042121; BG01521510; 4-Methoxy-furo[3,2-g]chromen-7-one; NCGC00256998-01; AC-20189; CHEMBL24171; SPBio_000547; ACon1_001979; DSSTox_RID_77830; 7H-Furo[3, 4-methoxy-; SR-05000002173-2; Bergapten, analytical standard; SCHEMBL50066; 4-methoxy-7-furo[3,2-g][1]benzopyranone; Heraclin; C01557; Bio-0829; Spectrum4_001478; LS-1292; D0QR5G; Pharmakon1600-00300546; 5-Methoxyfuranocoumarin; MLS002454380; NCGC00017357-01; AN-9448 |
C12H8O4 |
216.19 g/mol |
COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
|
TCMBANKIN061767 |
Isogingerenone-B |
(E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; isogingerenone-b; (E)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-7-(4-hydroxy-3-methoxy-phenyl)hept-4-en-3-one;isogingerenone b |
C22H26O6 |
386.44g/mol |
COC1=CC(=CC(=C1O)OC)CCC(=O)C=CCCC2=CC(=C(C=C2)O)OC |
|
TCMBANKIN061786 |
elemicine |
el-emicine，Elemicine; elemicin ; Elemicin; Benzene, 5-(2-propenyl)-1,2,3-trimethoxy; AX8052814; CJ-04512; C10451; V6154; KS-00000EX2; TC-307841; 4-allyl-1,2,6-trimethoxybenzene; CHEBI:4771; KB-85683; 5-Allyl-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-allylbenzene; NSC16704; K-9190; BRN 1912664; TRA0018883; 5-(Prop-2-en-1-yl)-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-allylbenzene (elemicin); SCHEMBL68542; EINECS 207-649-0; CTK4J0963; 5'-metoxy eugenol; ZB015169; ST24044297; AKOS015896443; CCRIS 6783; Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-; 10005-761a; 1,2,3-Trimethoxy-5-(2-propenyl)-benzene; 1,2,3-trimethoxy-5-(prop-2-en-1-yl)benzene; Benzene,1,2,3-trimethoxy-5-(2-propen-1-yl)-; A827594; 1,2,3-Trimethoxy-5-[2-propenyl]-benzene; I06-1928; 1,2,3-Trimethoxy-5-(2-propenyl)benzene; DTXSID60197586; ZINC899845; 3,4,5-Trimethoxyallylbenzene; MFCD01656688; BPLQKQKXWHCZSS-UHFFFAOYSA-N; AI3-20815; AN-843; CHEMBL458690; 487A116; OR40002; 487-11-6; 5-allyl-1,2,3-trimethoxybenzene; AK116942; ZX-AT003475; Benzene, 1,2,3-trimethoxy-5-(2-propenyl)- (9CI); J-520432; NSC-16704; MolPort-003-824-417; 3,4, 5-Trimethoxyallylbenzene; RP26424; LS-29056; 5-allyl-1,2,3-trimethoxy-benzene; HSZ191AKAN; AC1L1USQ; 4-allyl-1,2,6-trimethoxy benzene; 1,2,3-Trimethoxy-5-(2-propenyl)benzene, 9CI; NSC 16704; AJ-24292; Benzene,2,3-trimethoxy-5-(2-propenyl)-; SY018605; 1,2,3-trimethoxy-5-prop-2-enyl-benzene; 1,2,3-trimethoxy-5-prop-2-enylbenzene; FT-0652063; ST51053296; Benzene, 5-allyl-1,2,3-trimethoxy-; BENZENE, 5-ALLYL-1,2,3-TRIMETHOXY-; DB-081347; 3,5-Trimethoxyallylbenzene; PS-4970; UNII-HSZ191AKAN; 3-(3,4,5-Trimethoxyphenyl)-1-propene; 4-06-00-07478 (Beilstein Handbook Reference) |
C12H16O3 |
208.25 g/mol |
COC1=CC(=CC(=C1OC)OC)CC=C |
|
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 |
|
TCMBANKIN061892 |
limettin |
HMS501D13; MolPort-003-665-736; AC1L1EFT; 5-18-03-00199 (Beilstein Handbook Reference); ACMC-1AM7E; C-10266; A827593; BSPBio_003016; CTK4J0961; NCGC00254844-01; HMS1921E18; Coumarin derivative, 2a; KBio2_003291; AI3-36094; LS-55181; CC-20975; 5,7-Dimethoxy-2H-1-benzo-pyran-2-one; Citropten, analytical standard; AK167951; 5,7-Dimethoxy-2-benzopyrone; DB-051575; DivK1c_000391; CAS-487-06-9; NSC217987; FT-0619848; SR-05000002446-1; NINDS_000391; ST50319835; Spectrum_000243; Tox21_300942; InChI=1/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3; DTXSID1041421; Limettin; NCGC00094841-02; MCULE-8767481325; TC-168439; AQ-358/43417403; NCGC00178344-01; SMR000112321; OR345352; MLS002703744; SDCCGMLS-0066597.P001; KB-73158; IDI1_000391; 5,7-dimethoxy-coumarin; NSC102793; 2H-1-Benzopyran-2-one, 5,7-dimethoxy-; 9155AF; CHEMBL481049; 5,7-Dimethoxy-2H-1-benzopyran-2-one; Spectrum5_001348; SCHEMBL516577; DSSTox_CID_21421; 5,7-Dimethoxy-2H-chromen-2-one; citropten; EINECS 207-646-4; I14-52904; MLS002472928; DSSTox_GSID_41421; CCG-40277; HMS2268I06; NXJCRELRQHZBQA-UHFFFAOYSA-; NSC 102793; KBioGR_001222; AKOS015915990; KBio2_000723; 487D069; KBio2_005859; Spectrum3_001398; CHEBI:113528; BRD-K78612426-001-02-6; COUMARIN, 5,7-DIMETHOXY-; AN-45243; Citraptene; NCGC00094841-03; Spectrum2_000814; 5, 7-Dimethoxycoumarin; NCGC00094841-01; 5,7-dimethoxychromen-2-one; Spectrum4_000781; BDBM93217; KBio3_002236; NSC-102793; JWE1QQ247N; Limetin; 5,7-Dimethyloxy-2H-1-benzopyran-2-one; CCRIS 3595; NSC-217987; DSSTox_RID_79725; 487-06-9; SPECTRUM1500707; NXJCRELRQHZBQA-UHFFFAOYSA-N; SR-05000002446; Citroptene; 2H-1-Benzopyran-2-one,5,7-dimethoxy-; SPBio_000707; 5,7-dimethoxy-1-benzopyran-2-one; 5,7-Dimethoxycoumarin, 98%; UNII-JWE1QQ247N; KBio1_000391; ZINC57754; AC-20780; 5,7-Dimethoxy-chromen-2-one; NCGC00094841-04; 5,7-Dimethoxycoumarin; 2H-1-Benzopyran-2-one,7-dimethoxy-; MLS002207304; KBioSS_000723; MFCD00006870; BRN 0187066; ZB002255; Coumarin,7-dimethoxy-; citropten; Limetin; 5, 7- dimethoxy coumarin; HMS501D13; MolPort-003-665-736; AC1L1EFT; 5-18-03-00199 (Beilstein Handbook Reference); ACMC-1AM7E; C-10266; A827593; BSPBio_003016; CTK4J0961; NCGC00254844-01; HMS1921E18; Coumarin derivative, 2a; KBio2_003291; AI3-36094; LS-55181; CC-20975; 5,7-Dimethoxy-2H-1-benzo-pyran-2-one; Citropten, analytical standard; AK167951; 5,7-Dimethoxy-2-benzopyrone; DB-051575; DivK1c_000391; CAS-487-06-9; NSC217987; FT-0619848; SR-05000002446-1; NINDS_000391; ST50319835; Spectrum_000243; Tox21_300942; InChI=1/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3; DTXSID1041421; Limettin; NCGC00094841-02; MCULE-8767481325; TC-168439; AQ-358/43417403; NCGC00178344-01; SMR000112321; OR345352; MLS002703744; SDCCGMLS-0066597.P001; KB-73158; IDI1_000391; 5,7-dimethoxy-coumarin; NSC102793; 2H-1-Benzopyran-2-one, 5,7-dimethoxy-; 9155AF; CHEMBL481049; 5,7-Dimethoxy-2H-1-benzopyran-2-one; Spectrum5_001348; SCHEMBL516577; DSSTox_CID_21421; 5,7-Dimethoxy-2H-chromen-2-one; EINECS 207-646-4; I14-52904; MLS002472928; DSSTox_GSID_41421; CCG-40277; HMS2268I06; NXJCRELRQHZBQA-UHFFFAOYSA-; NSC 102793; KBioGR_001222; AKOS015915990; KBio2_000723; 487D069; KBio2_005859; Spectrum3_001398; CHEBI:113528; BRD-K78612426-001-02-6; COUMARIN, 5,7-DIMETHOXY-; AN-45243; Citraptene; NCGC00094841-03; Spectrum2_000814; 5, 7-Dimethoxycoumarin; NCGC00094841-01; 5,7-dimethoxychromen-2-one; Spectrum4_000781; BDBM93217; KBio3_002236; NSC-102793; JWE1QQ247N; Limetin; 5,7-Dimethyloxy-2H-1-benzopyran-2-one; CCRIS 3595; NSC-217987; DSSTox_RID_79725; 487-06-9; SPECTRUM1500707; NXJCRELRQHZBQA-UHFFFAOYSA-N; SR-05000002446; Citroptene; 2H-1-Benzopyran-2-one,5,7-dimethoxy-; SPBio_000707; 5,7-dimethoxy-1-benzopyran-2-one; 5,7-Dimethoxycoumarin, 98%; UNII-JWE1QQ247N; KBio1_000391; ZINC57754; AC-20780; 5,7-Dimethoxy-chromen-2-one; NCGC00094841-04; 5,7-Dimethoxycoumarin; 2H-1-Benzopyran-2-one,7-dimethoxy-; MLS002207304; KBioSS_000723; MFCD00006870; BRN 0187066; ZB002255; Coumarin,7-dimethoxy-; Spectrum5_001348; AIDS026325; 5,7-Dimethoxy-2-benzopyrone; ZINC00057754; EINECS 207-646-4; CCRIS 3595; DivK1c_000391; NSC217987; NINDS_000391; 487-06-9; SPECTRUM1500707; Spectrum_000243; ST5319835; Citroptene; Limettin; SPBio_000707; CITROPTEN; NCGC00094841-02; 5-18-03-00199 (Beilstein Handbook Reference); NSC 102793; KBio1_000391; KBioGR_001222; 116238_ALDRICH; BSPBio_003016; KBio2_000723; KBio2_005859; Spectrum3_001398; 5,7-Dimethoxycoumarin; AIDS-026325; AI3-36094; KBio2_003291; SDCCGMLS-0066597.P001; IDI1_000391; Citraptene; 5,7-dimethoxy-2-chromenone; KBioSS_000723; Spectrum2_000814; 5,7-dimethoxy-coumarin; BRN 0187066; NSC102793; 2H-1-Benzopyran-2-one, 5,7-dimethoxy-; 5,7-dimethoxychromen-2-one; Coumarin, 5,7-dimethoxy-; Spectrum4_000781; NCGC00094841-01; KBio3_002236 |
C11H10O4 |
206.19 g/mol |
COC1=CC2=C(C=CC(=O)O2)C(=C1)OC |
滇ICP备16009434号-1 |
Dai SX Lab