> Benzenoids / Phenols / Methoxyphenols
|
Vanillin
|
1183 |
Click to see
COC1=C(C=CC(=C1)C=O)O
|
152.15 |
unknown |
https://doi.org/10.1016/0031-9422(88)80613-7 https://doi.org/10.1016/0031-9422(95)00494-R |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
Myristic Acid
|
11005 |
Click to see
CCCCCCCCCCCCCC(=O)O
|
228.37 |
unknown |
https://doi.org/10.1016/0031-9422(88)80613-7 https://doi.org/10.1016/0031-9422(95)00494-R |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
|
Dotriacontanol
|
96117 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
|
466.90 |
unknown |
https://doi.org/10.1016/0031-9422(88)80613-7 https://doi.org/10.1016/0031-9422(95)00494-R |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Agarofurans
|
[(1S,2R,5R,6R,7S,9R)-5-acetyloxy-2,6,10,10-tetramethyl-4-oxo-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
|
101609240 |
Click to see
CC1CC(=O)C(C2(C13CC(CC2OC(=O)C4=CC=CC=C4)C(O3)(C)C)C)OC(=O)C
|
414.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
|
[(1R,2R,4S,10R)-12-(acetyloxymethyl)-4-methyl-8-methylidene-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] 2-methylprop-2-enoate
|
162993770 |
Click to see
CC(=C)C(=O)OC1CC(=C)C(=O)CCC2(C(O2)C3C1=C(C(=O)O3)COC(=O)C)C
|
404.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
[(1R,2R,4S,6S,8S,10R)-12-(acetyloxymethyl)-6-hydroxy-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] 2-methylprop-2-enoate
|
163067648 |
Click to see
CC1CC(C2=C(C(=O)OC2C3C(O3)(CC(C1=O)O)C)COC(=O)C)OC(=O)C(=C)C
|
422.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
[(1R,2R,4S,7R,9S,11R)-13-(acetyloxymethyl)-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadec-12-en-11-yl] (E)-4-hydroxypent-3-enoate
|
163186590 |
Click to see
CC(=CCC(=O)OC1CC2(C(O2)CCC3(C(O3)C4C1=C(C(=O)O4)COC(=O)C)C)C)O
|
436.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
[(1R,2R,4S,7R,9S,11R)-13-(acetyloxymethyl)-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadec-12-en-11-yl] 2-methylprop-2-enoate
|
162942650 |
Click to see
CC(=C)C(=O)OC1CC2(C(O2)CCC3(C(O3)C4C1=C(C(=O)O4)COC(=O)C)C)C
|
406.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
[(1R,2R,4S,7R,9S,11R)-13-(acetyloxymethyl)-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadec-12-en-11-yl] 4-hydroxypent-3-enoate
|
163084609 |
Click to see
CC(=CCC(=O)OC1CC2(C(O2)CCC3(C(O3)C4C1=C(C(=O)O4)COC(=O)C)C)C)O
|
436.50 |
unknown |
https://doi.org/10.1016/0031-9422(88)80613-7 https://doi.org/10.1016/0031-9422(95)00494-R |
[(1R,2R,4S,8S,10R)-12-(acetyloxymethyl)-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] (E)-4-hydroxypent-3-enoate
|
163080883 |
Click to see
CC1CC(C2=C(C(=O)OC2C3C(O3)(CCC1=O)C)COC(=O)C)OC(=O)CC=C(C)O
|
436.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
[(1R,2R,4S,8S,10R)-12-(acetyloxymethyl)-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] 2-methylprop-2-enoate
|
162865247 |
Click to see
CC1CC(C2=C(C(=O)OC2C3C(O3)(CCC1=O)C)COC(=O)C)OC(=O)C(=C)C
|
406.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80613-7 https://doi.org/10.1016/0031-9422(95)00494-R |
[(4R,6S,10R,11Z)-3-(acetyloxymethyl)-10-hydroxy-6,10-dimethyl-2,7-dioxo-5,6,8,9-tetrahydro-4H-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
|
162953125 |
Click to see
CC1CC(C2=C(C(=O)OC2=CC(CCC1=O)(C)O)COC(=O)C)OC(=O)C(=C)C
|
406.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80613-7 https://doi.org/10.1016/0031-9422(95)00494-R |
[12-(Acetyloxymethyl)-4-methyl-8-methylidene-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] 2-methylprop-2-enoate
|
13970357 |
Click to see
CC(=C)C(=O)OC1CC(=C)C(=O)CCC2(C(O2)C3C1=C(C(=O)O3)COC(=O)C)C
|
404.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
[12-(Acetyloxymethyl)-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] 4-hydroxypent-3-enoate
|
163080881 |
Click to see
CC1CC(C2=C(C(=O)OC2C3C(O3)(CCC1=O)C)COC(=O)C)OC(=O)CC=C(C)O
|
436.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
[12-(Acetyloxymethyl)-6-hydroxy-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] 2-methylprop-2-enoate
|
13970351 |
Click to see
CC1CC(C2=C(C(=O)OC2C3C(O3)(CC(C1=O)O)C)COC(=O)C)OC(=O)C(=C)C
|
422.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80613-7 https://doi.org/10.1016/0031-9422(95)00494-R |
[13-(Acetyloxymethyl)-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadec-12-en-11-yl] 2-methylprop-2-enoate
|
13970343 |
Click to see
CC(=C)C(=O)OC1CC2(C(O2)CCC3(C(O3)C4C1=C(C(=O)O4)COC(=O)C)C)C
|
406.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80613-7 https://doi.org/10.1016/0031-9422(95)00494-R |
[3-(acetyloxymethyl)-10-hydroxy-6,10-dimethyl-2,7-dioxo-5,6,8,9-tetrahydro-4H-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
|
162953124 |
Click to see
CC1CC(C2=C(C(=O)OC2=CC(CCC1=O)(C)O)COC(=O)C)OC(=O)C(=C)C
|
406.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Eudesmanolides, secoeudesmanolides, and derivatives
|
[(3aS,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate
|
162967546 |
Click to see
CC1C(O1)(C)C(=O)OC2CC3(C(CCC(=C)C3C4C2C(=C)C(=O)O4)O)C
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
|
[(1R,2R,4S,7E,10R)-12-(acetyloxymethyl)-4,8-dimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradeca-7,11-dien-10-yl] 2-methylprop-2-enoate
|
162867574 |
Click to see
CC1=CCCC2(C(O2)C3C(=C(C(=O)O3)COC(=O)C)C(C1)OC(=O)C(=C)C)C
|
390.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(3S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
|
10836206 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
|
225688 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
Beta-Amyrin
|
73145 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/0031-9422(88)80613-7 https://doi.org/10.1016/0031-9422(95)00494-R |
Olean-12-en-3beta-ol
|
225689 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/0031-9422(88)80613-7 https://doi.org/10.1016/0031-9422(95)00494-R |
> Lipids and lipid-like molecules / Steroids and steroid derivatives
|
(1S,3aS,5aR,5bS,7aR,9S,11aR,11bS,13aR,13bS)-3a,5b,8,8,11a,13b-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-ol
|
163087887 |
Click to see
CC(=C)C1CCC2(C1(C3CCC4C(C3CC2)(CCC5C4(CCC(C5(C)C)O)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/0031-9422(88)80613-7 https://doi.org/10.1016/0031-9422(95)00494-R |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
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/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
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/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
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/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
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/10.1016/0031-9422(88)80613-7 https://doi.org/10.1016/0031-9422(95)00494-R |
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
|
(10-Hydroxy-7,11-dimethyl-2-methylidene-3-oxo-4,14,15-trioxatetracyclo[9.2.1.17,10.01,5]pentadec-5-en-13-yl) 2-methylprop-2-enoate
|
163025678 |
Click to see
CC(=C)C(=O)OC1CC2(C3(CCC(O3)(C=C4C1(O2)C(=C)C(=O)O4)C)O)C
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80613-7 https://doi.org/10.1016/0031-9422(95)00494-R |
[(1S,5E,7R,10S,11R,13S)-10-hydroxy-7,11-dimethyl-2-methylidene-3-oxo-4,14,15-trioxatetracyclo[9.2.1.17,10.01,5]pentadec-5-en-13-yl] 2-methylprop-2-enoate
|
163025679 |
Click to see
CC(=C)C(=O)OC1CC2(C3(CCC(O3)(C=C4C1(O2)C(=C)C(=O)O4)C)O)C
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
|
[(1S,2E,8R,10S,11R)-6-(acetyloxymethyl)-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate
|
13970346 |
Click to see
CC1CC(C2=C(C(=O)OC2=CC3(CCC1(O3)O)C)COC(=O)C)OC(=O)C(=C)C
|
406.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
|
(8,12-Dimethyl-2-methylidene-3,11-dioxo-4,7,15-trioxatetracyclo[10.2.1.01,5.06,8]pentadecan-14-yl) 2-methylprop-2-enoate
|
13970337 |
Click to see
CC(=C)C(=O)OC1CC2(C(=O)CCC3(C(O3)C4C1(O2)C(=C)C(=O)O4)C)C
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
[(1S,5R,6S,8R,12R,14S)-8,12-dimethyl-2-methylidene-3,11-dioxo-4,7,15-trioxatetracyclo[10.2.1.01,5.06,8]pentadecan-14-yl] 2-methylprop-2-enoate
|
162969496 |
Click to see
CC(=C)C(=O)OC1CC2(C(=O)CCC3(C(O3)C4C1(O2)C(=C)C(=O)O4)C)C
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives / Dihydropyranones
|
Cryptochinone D
|
46939686 |
Click to see
COC1CC2=C(C3C1OC(=O)C3)C(=O)CC(O2)C4=CC=CC=C4
|
314.30 |
unknown |
https://doi.org/10.1016/0031-9422(88)80613-7 https://doi.org/10.1016/0031-9422(95)00494-R |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives
|
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide
|
149571961 |
Click to see
CN(CCC1=CC=C(C=C1)OC)C(=O)C=CC2=CC(=C(C=C2)OC)OC
|
355.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80613-7 https://doi.org/10.1016/0031-9422(95)00494-R |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
|
Chryseriol
|
5280666 |
Click to see
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
|
300.26 |
unknown |
https://doi.org/10.1016/0031-9422(95)00494-R https://doi.org/10.1016/0031-9422(88)80613-7 |