> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids
|
4-Propoxybenzoic acid
|
138500 |
Click to see
CCCOC1=CC=C(C=C1)C(=O)O
|
180.20 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives
|
p-Anisic acid
|
7478 |
Click to see
COC1=CC=C(C=C1)C(=O)O
|
152.15 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / p-Hydroxybenzoic acid esters / p-Hydroxybenzoic acid alkyl esters
|
Methyl 2,4-dihydroxybenzoate
|
16523 |
Click to see
COC(=O)C1=C(C=C(C=C1)O)O
|
168.15 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,9-epoxylignans
|
Lariciresinol
|
332427 |
Click to see
COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O
|
360.40 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
Lariciresinol, (+)-
|
134203 |
Click to see
COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O
|
360.40 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
3-Carene
|
26049 |
Click to see
CC1=CCC2C(C1)C2(C)C
|
136.23 |
unknown |
https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<38::AID-FFJ778>3.0.CO;2-8 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
Caryophyllene
|
5281515 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<38::AID-FFJ778>3.0.CO;2-8 |
Humulene
|
5281520 |
Click to see
CC1=CCC(C=CCC(=CCC1)C)(C)C
|
204.35 |
unknown |
https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<38::AID-FFJ778>3.0.CO;2-8 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
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(3S,4aR,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
102322401 |
Click to see
CC1(CC2C3=CCC4C(C3(CCC2(CC1OC5C(C(C(C(O5)CO)O)O)O)C(=O)O)C)(CCC6C4(CC(C(C6(C)CO)O)O)C)C)C
|
666.80 |
unknown |
https://doi.org/10.1515/ZNB-2007-0617 |
10,11-Dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
73744577 |
Click to see
CC1(CC2C3=CCC4C(C3(CCC2(CC1OC5C(C(C(C(O5)CO)O)O)O)C(=O)O)C)(CCC6C4(CC(C(C6(C)CO)O)O)C)C)C
|
666.80 |
unknown |
https://doi.org/10.1515/ZNB-2007-0617 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones
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(1R,8S,10S)-8-ethoxy-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
|
14314750 |
Click to see
CCOC1C2C3C(CCCC3(C4=C(C(=C(C=C14)C(C)C)O)O)C(=O)O2)(C)C
|
374.50 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
7-Ethoxyrosmanol
|
23243693 |
Click to see
CCOC1C2C3C(CCCC3(C4=C(C(=C(C=C14)C(C)C)O)O)C(=O)O2)(C)C
|
374.50 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
Rosmanol-9-ethylethe
|
500133 |
Click to see
CCOC1C2C3C(CCCC3(C4=C(C(=C(C=C14)C(C)C)O)O)C(=O)O2)(C)C
|
374.50 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(3S,4aR,6aR,6aS,6bR,8aR,10R,11R,12aS)-3,10,11-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-4a-carboxylic acid
|
163053220 |
Click to see
CC1(CC2=C3C=CC4C(C3(CCC2(CC1O)C(=O)O)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)C
|
486.70 |
unknown |
https://doi.org/10.1002/MRC.2364 |
(4aS,6aS,6aS,6bR,8aS,10S,12R,12aS)-10,12-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-4a-carboxylic acid
|
163072439 |
Click to see
CC1(CCC2(CCC3(C(=C2C1)C=CC4C3(CCC5C4(C(CC(C5(C)C)O)O)C)C)C)C(=O)O)C
|
470.70 |
unknown |
https://doi.org/10.1002/MRC.2364 |
10-Acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
619165 |
Click to see
CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)C)C
|
498.70 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
10,12-Dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-4a-carboxylic acid
|
163072438 |
Click to see
CC1(CCC2(CCC3(C(=C2C1)C=CC4C3(CCC5C4(C(CC(C5(C)C)O)O)C)C)C)C(=O)O)C
|
470.70 |
unknown |
https://doi.org/10.1002/MRC.2364 |
3-Hydroxyolean-12-en-28-oic acid
|
619166 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
|
456.70 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
3-O-Acetyloleanolic acid
|
151202 |
Click to see
CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)C)C
|
498.70 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
3,10,11-Trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-4a-carboxylic acid
|
163053219 |
Click to see
CC1(CC2=C3C=CC4C(C3(CCC2(CC1O)C(=O)O)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)C
|
486.70 |
unknown |
https://doi.org/10.1002/MRC.2364 |
Colosolic acid
|
15917996 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O
|
472.70 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
Corosolic acid
|
6918774 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O
|
472.70 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
Oleanolic Acid
|
10494 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
|
456.70 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
Oleanolic acid acetate
|
6708573 |
Click to see
CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)C)C
|
498.70 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
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[(2R,3R,4R,5S,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl decanoate
|
162850670 |
Click to see
CCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(CC)C(C)C)C)C)O)O)O
|
731.10 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
122544 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
86821 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
24-Ethylcholest-5-en-3beta-ol
|
22012 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
beta-Sitosterol 3-O-beta-D-galactopyranoside
|
296119 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
Sitogluside
|
5742590 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
ST 29:1;O;Hex;FA 10:0
|
162850669 |
Click to see
CCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(CC)C(C)C)C)C)O)O)O
|
731.10 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
Stigmasterol
|
5280794 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
> Phenylpropanoids and polyketides / 3,4-dihydrocoumarins
|
(6aR,10aR)-4-hydroxy-7,7-dimethyl-6-oxo-3-propan-2-yl-6a,8,9,10-tetrahydrobenzo[c]chromene-1,10a-dicarbaldehyde
|
10472670 |
Click to see
CC(C)C1=C(C2=C(C(=C1)C=O)C3(CCCC(C3C(=O)O2)(C)C)C=O)O
|
344.40 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
Safficinolide
|
85152699 |
Click to see
CC(C)C1=C(C2=C(C(=C1)C=O)C3(CCCC(C3C(=O)O2)(C)C)C=O)O
|
344.40 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
|
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-
|
3594 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
|
610.60 |
unknown |
https://doi.org/10.1515/ZNB-2007-0617 |
Hesperidin
|
10621 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
|
610.60 |
unknown |
https://doi.org/10.1515/ZNB-2007-0617 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
Ladanein
|
3084066 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)O)O
|
314.29 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00290-8 |