> 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/S0031-9422(98)00489-0 |
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
|
4-Methylbenzyl alcohol
|
11505 |
Click to see
CC1=CC=C(C=C1)CO
|
122.16 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00489-0 |
> Benzenoids / Phenols / Methoxyphenols
|
3-Hydroxy-4,5-dimethoxycinnamyl alcohol
|
14830746 |
Click to see
COC1=CC(=CC(=C1OC)O)C=CCO
|
210.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95203-8 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
(2R,5S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-diol
|
91277640 |
Click to see
CC1(C2CC(C1(CC2O)C)O)C
|
170.25 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95203-8 |
(2R)-7-(hydroxymethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
|
163086583 |
Click to see
CC12CCC(C1(C)CO)CC2O
|
170.25 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95203-8 |
Bicyclo[2.2.1]heptane-7-methanol, 2-hydroxy-1,7-dimethyl-
|
565696 |
Click to see
CC12CCC(C1(C)CO)CC2O
|
170.25 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95203-8 |
Camphane
|
92108 |
Click to see
CC1(C2CCC1(CC2)C)C
|
138.25 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00489-0 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(1R,3aR,5S,8S,8aS)-3a-methyl-6-methylidene-1-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-azulene-1,5,8-triol
|
14681670 |
Click to see
CC(C)C1(CCC2(C1C(CC(=C)C(C2)O)O)C)O
|
254.36 |
unknown |
https://doi.org/10.1021/NP50068A033 https://doi.org/10.1016/S0031-9422(00)95203-8 |
(1R,3aS,8S,8aS)-1,8-dihydroxy-3a,6-dimethyl-1-propan-2-yl-3,7,8,8a-tetrahydro-2H-azulen-4-one
|
14239512 |
Click to see
CC1=CC(=O)C2(CCC(C2C(C1)O)(C(C)C)O)C
|
252.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95203-8 |
(1S,3aR,5S,8S,8aS)-3a-methyl-6-methylidene-1-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-azulene-1,5,8-triol
|
162875239 |
Click to see
CC(C)C1(CCC2(C1C(CC(=C)C(C2)O)O)C)O
|
254.36 |
unknown |
https://doi.org/10.1021/NP50068A033 |
(8a-methyl-3-propan-2-yl-2,4,5,6,7,8-hexahydro-1H-azulen-6-yl)methanol
|
100957403 |
Click to see
CC(C)C1=C2CCC(CCC2(CC1)C)CO
|
222.37 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00489-0 |
[(1R,3aR,5R,6S,8S,8aS)-1,6,8-trihydroxy-3a,6-dimethyl-1-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-azulen-5-yl] 4-hydroxybenzoate
|
162885722 |
Click to see
CC(C)C1(CCC2(C1C(CC(C(C2)OC(=O)C3=CC=C(C=C3)O)(C)O)O)C)O
|
392.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95203-8 |
[(1R,3R,3aS,4S,8aR)-1,3-dihydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-methoxybenzoate
|
14830745 |
Click to see
CC1=CCC2(C(CC(C2C(C1)OC(=O)C3=CC=C(C=C3)OC)(C(C)C)O)O)C
|
388.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95203-8 |
[(1R,3R,3aS,4S,8aR)-1,3-dihydroxy-6,8a-dimethyl-7-oxo-3-propan-2-yl-2,3a,4,8-tetrahydro-1H-azulen-4-yl] 4-hydroxybenzoate
|
14830743 |
Click to see
CC1=CC(C2C(CC1=O)(C(CC2(C(C)C)O)O)C)OC(=O)C3=CC=C(C=C3)O
|
388.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95203-8 |
[(1R,3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-1-[(Z)-2-methylbut-2-enoyl]oxy-8-oxo-3-propan-2-yl-2,3a,4,5-tetrahydro-1H-azulen-4-yl] (Z)-2-methylbut-2-enoate
|
14830741 |
Click to see
CC=C(C)C(=O)OC1CC(=CC(=O)C2(C1C(CC2OC(=O)C(=CC)C)(C(C)C)O)C)C
|
432.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95203-8 |
[(1R,3R,3aS,4S,8aR)-3,4-dihydroxy-6,8a-dimethyl-8-oxo-3-propan-2-yl-2,3a,4,5-tetrahydro-1H-azulen-1-yl] 4-hydroxybenzoate
|
162843975 |
Click to see
CC1=CC(=O)C2(C(CC(C2C(C1)O)(C(C)C)O)OC(=O)C3=CC=C(C=C3)O)C
|
388.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95203-8 |
[(1S,3aR,4R,8aR)-8a-hydroxy-6-(hydroxymethyl)-3a-methyl-3-oxo-1-propan-2-yl-2,4,7,8-tetrahydro-1H-azulen-4-yl] (E)-2-methylbut-2-enoate
|
162917861 |
Click to see
CC=C(C)C(=O)OC1C=C(CCC2(C1(C(=O)CC2C(C)C)C)O)CO
|
350.40 |
unknown |
https://doi.org/10.1021/NP50068A033 |
[(3aR,4R,8aS)-8a-hydroxy-6-(hydroxymethyl)-3a-methyl-3-oxo-1-propan-2-yl-2,4,7,8-tetrahydro-1H-azulen-4-yl] (Z)-2-methylbut-2-enoate
|
162917862 |
Click to see
CC=C(C)C(=O)OC1C=C(CCC2(C1(C(=O)CC2C(C)C)C)O)CO
|
350.40 |
unknown |
https://doi.org/10.1021/NP50068A033 |
[(3R,3aS,4S,6S,7S,8aR)-3,6,7-trihydroxy-6,8a-dimethyl-3-propan-2-yl-2,3a,4,5,7,8-hexahydro-1H-azulen-4-yl] 4-hydroxybenzoate
|
14681668 |
Click to see
CC(C)C1(CCC2(C1C(CC(C(C2)O)(C)O)OC(=O)C3=CC=C(C=C3)O)C)O
|
392.50 |
unknown |
https://doi.org/10.1021/NP50068A033 |
[(3R,3aS,4S,7R,8aR)-3,7-dihydroxy-8a-methyl-6-methylidene-3-propan-2-yl-2,3a,4,5,7,8-hexahydro-1H-azulen-4-yl] 4-hydroxybenzoate
|
13877691 |
Click to see
CC(C)C1(CCC2(C1C(CC(=C)C(C2)O)OC(=O)C3=CC=C(C=C3)O)C)O
|
374.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95203-8 |
[(3R,4S,7S,8aR)-7-acetyloxy-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,7,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
|
12016127 |
Click to see
CC1=CC(C2C(CCC2(C(C)C)O)(CC1OC(=O)C)C)OC(=O)C3=CC=C(C=C3)O
|
416.50 |
unknown |
https://doi.org/10.1016/S0031-9422(01)00115-7 |
[(3R,6S)-3,6-dihydroxy-6,8a-dimethyl-3-propan-2-yl-2,3a,4,5-tetrahydro-1H-azulen-4-yl] 4-hydroxybenzoate
|
163005868 |
Click to see
CC(C)C1(CCC2(C1C(CC(C=C2)(C)O)OC(=O)C3=CC=C(C=C3)O)C)O
|
374.50 |
unknown |
https://doi.org/10.1021/NP50068A033 |
[8a-hydroxy-6-(hydroxymethyl)-3a-methyl-3-oxo-1-propan-2-yl-2,4,7,8-tetrahydro-1H-azulen-4-yl] 2-methylbut-2-enoate
|
162917859 |
Click to see
CC=C(C)C(=O)OC1C=C(CCC2(C1(C(=O)CC2C(C)C)C)O)CO
|
350.40 |
unknown |
https://doi.org/10.1021/NP50068A033 |
3a-methyl-6-methylidene-1-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-azulene-1,5,8-triol
|
14681669 |
Click to see
CC(C)C1(CCC2(C1C(CC(=C)C(C2)O)O)C)O
|
254.36 |
unknown |
https://doi.org/10.1021/NP50068A033 |
Fercomin
|
14486243 |
Click to see
CC1=CC(C2(C(=O)CC(C2(CC1)O)C(C)C)C)OC(=O)C3=CC=C(C=C3)OC
|
386.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00489-0 |
Ferugin
|
184085 |
Click to see
CC(C)C1(CCC2(C1C(CC(=C)C(C2)O)OC(=O)C3=CC=C(C=C3)O)C)O
|
374.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95203-8 |
Ferutidin
|
10172562 |
Click to see
CC1=CCC2(CCC(C2C(C1)OC(=O)C3=CC=C(C=C3)OC)(C(C)C)O)C
|
372.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)81710-0 https://doi.org/10.1021/NP50068A033 |
Jaeschkeanadiol
|
10125228 |
Click to see
CC1=CCC2(CCC(C2C(C1)O)(C(C)C)O)C
|
238.37 |
unknown |
https://doi.org/10.1021/NP50068A033 |
Teferdin
|
10125942 |
Click to see
CC1=CCC2(CCC(C2C(C1)OC(=O)C3=CC=CC=C3)(C(C)C)O)C
|
342.50 |
unknown |
https://doi.org/10.1021/NP50068A033 |
Teferidine
|
91747169 |
Click to see
CC1=CCC2(CCC(C2C(C1)OC(=O)C3=CC=CC=C3)(C(C)C)O)C
|
342.50 |
unknown |
https://doi.org/10.1021/NP50068A033 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
|
7-[(E,6S,7R,10R)-6,7,10,11-tetrahydroxy-3,7,11-trimethyldodec-2-enoxy]chromen-2-one
|
162889477 |
Click to see
CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC(C(C)(CCC(C(C)(C)O)O)O)O
|
434.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00489-0 |
Ferulsinaic acid
|
102469382 |
Click to see
CC1CC(C(C1COC2=CC3=C(C=C2)C=CC(=O)O3)(C)CCC(=O)O)C=C(C)C
|
398.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.12.011 |
Karatavicinol
|
44386968 |
Click to see
CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)CCC(C(C)(C)O)O
|
400.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00489-0 |
Umbelliprenin
|
1781413 |
Click to see
CC(=CCCC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C)C
|
366.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00489-0 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Eudesmanolides, secoeudesmanolides, and derivatives
|
(3R,3aS,5aR,8R,9R,9aR,9bR)-8,9-dihydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one
|
12016126 |
Click to see
CC1C2CCC3(CCC(C(C3C2OC1=O)(C)O)O)C
|
268.35 |
unknown |
https://doi.org/10.1016/S0031-9422(01)00115-7 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Tetracarboxylic acids and derivatives
|
[(2S,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
|
102469378 |
Click to see
CC(=O)OCC1C(C(C(C(O1)OC)OC(=O)C)OC(=O)C)OC(=O)C
|
362.33 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.12.011 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
|
(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
|
6997328 |
Click to see
COC1C(C(C(C(O1)CO)O)O)O
|
194.18 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.12.011 |
Crenulatin
|
5316128 |
Click to see
CC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O
|
248.27 |
unknown |
https://doi.org/10.1021/NP9603434 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar alcohols
|
(2S)-2-methylbutane-1,2,3,4-tetrol
|
138113829 |
Click to see
CC(CO)(C(CO)O)O
|
136.15 |
unknown |
https://doi.org/10.1021/NP9603434 |
(3S)-2-methylbutane-1,2,3,4-tetrol
|
53481015 |
Click to see
CC(CO)(C(CO)O)O
|
136.15 |
unknown |
https://doi.org/10.1021/NP9603434 |
> Phenylpropanoids and polyketides / Coumarins and derivatives
|
[(2R,4aR,5R,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
|
1765141 |
Click to see
CC(=O)OC1CCC2(C(C1(C)C)CCC(=C)C2COC3=CC4=C(C=C3)C=CC(=O)O4)C
|
424.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2006.12.011 |
[(2R,4aR,6S,8aS)-6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate
|
162920524 |
Click to see
CC=C(C)C(=O)OC1CCC2(C(C1(C)C)CCC(C2COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C
|
482.60 |
unknown |
https://doi.org/10.1021/NP50068A033 |
7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methoxy]-2H-chromen-2-one
|
495441 |
Click to see
CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C
|
382.50 |
unknown |
https://doi.org/10.1021/NP100487J |
7-[[(1R,2S,3R,4aS,5R,8aS)-3-hydroxy-2,4a,5,8a-tetramethyl-6-oxo-2,3,4,5,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
|
100957402 |
Click to see
CC1C(CC2(C(C(=O)CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)C)C)O
|
398.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00489-0 |
7-[[(1R,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-1-benzopyran-2-one
|
7067264 |
Click to see
CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C
|
382.50 |
unknown |
https://doi.org/10.1021/NP50068A033 https://doi.org/10.1016/J.PHYTOCHEM.2006.12.011 |
7-[[(1S,2R,4aR,6R,8aR)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
|
7082681 |
Click to see
CC1(C2CCC(C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C
|
400.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00489-0 |
7-[[(1S,2R,4aR,6S,8aS)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
|
101313320 |
Click to see
CC1(C2CCC(C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C
|
400.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00489-0 https://doi.org/10.1021/NP50068A033 |
7-[[(2S,4aS,6S)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
|
5459231 |
Click to see
CC1(C2CCC(C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C
|
400.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00489-0 |
Feselol
|
179577 |
Click to see
CC1=CCC2C(C(CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)O)(C)C
|
382.50 |
unknown |
https://doi.org/10.1021/NP50068A033 https://doi.org/10.1016/J.PHYTOCHEM.2006.12.011 |
Samarcandin
|
71587098 |
Click to see
CC1(C2CCC(C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C
|
400.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00489-0 |
Samarcandone
|
101285185 |
Click to see
CC1(C2CCC(C(C2(CCC1=O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C
|
398.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00489-0 |
Samarkandon
|
13889350 |
Click to see
CC1(C2CCC(C(C2(CCC1=O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C
|
398.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00489-0 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
[6-[2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
14186899 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC5C(C(C(C(O5)COC(=O)C)O)O)O)O
|
636.60 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00489-0 |