> Lignans, neolignans and related compounds / Aryltetralin lignans
|
methyl (2R,3S,4S)-2,6-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
|
163188954 |
Click to see
COC1=C(C=C2C(C(C(CC2=C1)(C(=O)OC)O)CO)C3=CC(=C(C=C3)O)OC)O
|
404.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00705-4 |
methyl (2S,3S,4S)-2,6-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
|
102066703 |
Click to see
COC1=C(C=C2C(C(C(CC2=C1)(C(=O)OC)O)CO)C3=CC(=C(C=C3)O)OC)O
|
404.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00126-6 |
methyl 2,6-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
|
163015637 |
Click to see
COC1=C(C=C2C(C(C(CC2=C1)(C(=O)OC)O)CO)C3=CC(=C(C=C3)O)OC)O
|
404.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00705-4 |
> Lignans, neolignans and related compounds / Dibenzylbutane lignans / Dibenzylbutanediol lignans
|
2,3-bis(4-Hydroxy-3-methoxybenzyl)butane-1,4-diol
|
586372 |
Click to see
COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO)O
|
362.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00126-6 |
Secoisolariciresinol
|
65373 |
Click to see
COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO)O
|
362.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00126-6 |
> Lignans, neolignans and related compounds / Furanoid lignans
|
Pinoresinol
|
73399 |
Click to see
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00705-4 |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,9-epoxylignans
|
4-[[(4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol
|
52940260 |
Click to see
COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O
|
360.40 |
unknown |
via CMAUP database |
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/S0031-9422(00)00126-6 |
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/S0031-9422(00)00126-6 |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans
|
(3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one
|
11631883 |
Click to see
COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)O
|
361.40 |
unknown |
via CMAUP database |
(3R,4R)-4-(4-hydroxy-3-methoxybenzoyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
11440181 |
Click to see
COC1=C(C=CC(=C1)CC2C(COC2=O)C(=O)C3=CC(=C(C=C3)O)OC)O
|
372.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00705-4 |
(3R,4R)-4-[(R)-[4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]-hydroxymethyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
102066701 |
Click to see
COC1=C(C=CC(=C1)CC2C(COC2=O)C(C3=CC(=C(C=C3)OC(CO)C(C4=CC(=C(C=C4)O)OC)O)OC)O)O
|
570.60 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00705-4 |
(3R,4R)-4-[(R)-[4-[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]-hydroxymethyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
102066700 |
Click to see
COC1=C(C=CC(=C1)CC2C(COC2=O)C(C3=CC(=C(C=C3)OC(CO)C(C4=CC(=C(C=C4)O)OC)O)OC)O)O
|
570.60 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00705-4 |
(3S,4S)-3-hydroxy-4-(4-hydroxy-3-methoxybenzoyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
101057081 |
Click to see
COC1=C(C=CC(=C1)CC2(C(COC2=O)C(=O)C3=CC(=C(C=C3)O)OC)O)O
|
388.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00126-6 |
[(2S,3R)-3-acetyloxy-2-[4-[(R)-acetyloxy-[(3R,4R)-4-[(4-acetyloxy-3-methoxyphenyl)methyl]-5-oxooxolan-3-yl]methyl]-2-methoxyphenoxy]-3-(4-acetyloxy-3-methoxyphenyl)propyl] acetate
|
162921000 |
Click to see
CC(=O)OCC(C(C1=CC(=C(C=C1)OC(=O)C)OC)OC(=O)C)OC2=C(C=C(C=C2)C(C3COC(=O)C3CC4=CC(=C(C=C4)OC(=O)C)OC)OC(=O)C)OC
|
780.80 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00705-4 |
[(2S,3S)-3-acetyloxy-2-[4-[(R)-acetyloxy-[(3R,4R)-4-[(4-acetyloxy-3-methoxyphenyl)methyl]-5-oxooxolan-3-yl]methyl]-2-methoxyphenoxy]-3-(4-acetyloxy-3-methoxyphenyl)propyl] acetate
|
162921001 |
Click to see
CC(=O)OCC(C(C1=CC(=C(C=C1)OC(=O)C)OC)OC(=O)C)OC2=C(C=C(C=C2)C(C3COC(=O)C3CC4=CC(=C(C=C4)OC(=O)C)OC)OC(=O)C)OC
|
780.80 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00705-4 |
[3-Acetyloxy-2-[4-[acetyloxy-[4-[(4-acetyloxy-3-methoxyphenyl)methyl]-5-oxooxolan-3-yl]methyl]-2-methoxyphenoxy]-3-(4-acetyloxy-3-methoxyphenyl)propyl] acetate
|
162920999 |
Click to see
CC(=O)OCC(C(C1=CC(=C(C=C1)OC(=O)C)OC)OC(=O)C)OC2=C(C=C(C=C2)C(C3COC(=O)C3CC4=CC(=C(C=C4)OC(=O)C)OC)OC(=O)C)OC
|
780.80 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00705-4 |
2(3H)-Furanone, dihydro-4-[(S)-hydroxy[4-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-
|
162962444 |
Click to see
COC1=C(C=CC(=C1)CC2C(COC2=O)C(C3=CC(=C(C=C3)OC(CO)C(C4=CC(=C(C=C4)O)OC)O)OC)O)O
|
570.60 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00705-4 |
3-Hydroxy-4-(4-hydroxy-3-methoxybenzoyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
163040545 |
Click to see
COC1=C(C=CC(=C1)CC2(C(COC2=O)C(=O)C3=CC(=C(C=C3)O)OC)O)O
|
388.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00126-6 |
3,4-Bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
345761 |
Click to see
COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00126-6 https://doi.org/10.1021/JO01048A526 |
5-Allohydroxymatairesinol
|
11057830 |
Click to see
COC1=C(C=CC(=C1)CC2C(COC2=O)C(C3=CC(=C(C=C3)O)OC)O)O
|
374.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00705-4 |
Hydroxymatairesinol
|
10948757 |
Click to see
COC1=C(C=CC(=C1)CC2C(COC2=O)C(C3=CC(=C(C=C3)O)OC)O)O
|
374.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00126-6 https://doi.org/10.1016/S0031-9422(96)00705-4 |
Matairesinol
|
119205 |
Click to see
COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00126-6 |
> Lignans, neolignans and related compounds / Lignan lactones
|
(3aR,9S,9aS)-3a,7-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,4,9,9a-tetrahydrobenzo[f][2]benzofuran-3-one
|
163036100 |
Click to see
COC1=C(C=C2C(C3COC(=O)C3(CC2=C1)O)C4=CC(=C(C=C4)O)OC)O
|
372.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00705-4 |
3a,7-Dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,4,9,9a-tetrahydrobenzo[f][2]benzofuran-3-one
|
163036099 |
Click to see
COC1=C(C=C2C(C3COC(=O)C3(CC2=C1)O)C4=CC(=C(C=C4)O)OC)O
|
372.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00705-4 |
alpha-Conidendrin
|
220995 |
Click to see
COC1=C(C=C2C(C3COC(=O)C3CC2=C1)C4=CC(=C(C=C4)O)OC)O
|
356.40 |
unknown |
https://doi.org/10.1021/JO01179A009 |
Alpha-Conidendrin
|
457194 |
Click to see
COC1=C(C=C2C(C3COC(=O)C3CC2=C1)C4=CC(=C(C=C4)O)OC)O
|
356.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00705-4 https://doi.org/10.1021/JO01179A009 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
(8S,11bS)-7,11-dihydroxy-3,4,8,11b-tetramethyl-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-6-one
|
11174780 |
Click to see
CC1COC2=C(C3=C(C(=O)C=C4C3(CCC(=C4C)C)C)C(=C12)O)O
|
326.40 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
(-)-beta-Phellandrene
|
443161 |
Click to see
CC(C)C1CCC(=C)C=C1
|
136.23 |
unknown |
https://doi.org/10.1002/JPS.3080191208 |
(+)-beta-Phellandrene
|
442484 |
Click to see
CC(C)C1CCC(=C)C=C1
|
136.23 |
unknown |
https://doi.org/10.1002/JPS.3080191208 |
Beta-Phellandrene
|
11142 |
Click to see
CC(C)C1CCC(=C)C=C1
|
136.23 |
unknown |
https://doi.org/10.1002/JPS.3080191208 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
|
[(1S,4aR,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
6325178 |
Click to see
CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)OC)O
|
524.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
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 |
via CMAUP database |
O-Acetyloleanolic aldehyde
|
14829106 |
Click to see
CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C=O)C)C)C
|
482.70 |
unknown |
via CMAUP database |
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 |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
22-Dehydroclerosterol
|
15608667 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(=C)C
|
410.70 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Aspartic acid and derivatives
|
Aspartic Acid
|
5960 |
Click to see
C(C(C(=O)O)N)C(=O)O
|
133.10 |
unknown |
https://doi.org/10.1016/S0021-9673(01)97854-9 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Gamma amino acids and derivatives
|
Gamma-Aminobutyric Acid
|
119 |
Click to see
C(CC(=O)O)CN
|
103.12 |
unknown |
https://doi.org/10.1016/S0021-9673(01)97854-9 |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
|
4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one
|
184824 |
Click to see
C1CC(CCC1=O)(CCO)O
|
158.19 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzofurans
|
(3aR,6R,7aS)-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a,6-diol
|
11744892 |
Click to see
C1CC2(CCOC2CC1O)O
|
158.19 |
unknown |
via CMAUP database |
(3aS,4R,7aS)-3a,4-dihydroxy-2,3,4,5,7,7a-hexahydro-1-benzofuran-6-one
|
10749706 |
Click to see
C1COC2C1(C(CC(=O)C2)O)O
|
172.18 |
unknown |
via CMAUP database |
Cleroindicin C
|
10975728 |
Click to see
C1CC2(CCOC2CC1=O)O
|
156.18 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
|
(-)-Cedrusin
|
21722963 |
Click to see
COC1=C(C=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)O)CO)O
|
346.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00705-4 |
> Phenylpropanoids and polyketides / Flavonoids / Flavones
|
Apigenin
|
5280443 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
|
270.24 |
unknown |
via CMAUP database |
Scutellarein
|
5281697 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O
|
286.24 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-7-O-glucuronides
|
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
|
5318059 |
Click to see
COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)C(=O)O)O)O)O
|
476.40 |
unknown |
via CMAUP database |
beta-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl
|
158227 |
Click to see
COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O
|
492.40 |
unknown |
via CMAUP database |
Scutellarin
|
185617 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O
|
462.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 6-O-methylated flavonoids
|
Eupafolin
|
5317284 |
Click to see
COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O
|
316.26 |
unknown |
via CMAUP database |
Hispidulin
|
5281628 |
Click to see
COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O
|
300.26 |
unknown |
via CMAUP database |
Pectolinarigenin
|
5320438 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O
|
314.29 |
unknown |
via CMAUP database |