> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Tigliane and ingenane diterpenoids
|
[(1R,2R,6S,10R,11R,13S,14R,15R)-13-acetyloxy-8-formyl-1-hydroxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(methylamino)benzoate
|
162901456 |
Click to see
CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4CC(=C3)C=O)C)O)OC(=O)C)OC(=O)C5=CC=CC=C5NC
|
521.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Eudesmanolides, secoeudesmanolides, and derivatives
|
(6,9-Dihydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-8-yl) 2-methylbutanoate
|
162878833 |
Click to see
CCC(C)C(=O)OC1CC(C2(CCC3C(C2C1(C)O)OC(=O)C3=C)C)O
|
366.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
(6,9-Dihydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-8-yl) 2-methylpropanoate
|
163087805 |
Click to see
CC(C)C(=O)OC1CC(C2(CCC3C(C2C1(C)O)OC(=O)C3=C)C)O
|
352.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
[(3aS,5aR,6R,8R,9S,9aS,9bS)-6,9-dihydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-8-yl] (2R)-2-methylbutanoate
|
162878834 |
Click to see
CCC(C)C(=O)OC1CC(C2(CCC3C(C2C1(C)O)OC(=O)C3=C)C)O
|
366.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
[(3aS,5aR,6R,8R,9S,9aS,9bS)-6,9-dihydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-8-yl] 2-methylpropanoate
|
163087806 |
Click to see
CC(C)C(=O)OC1CC(C2(CCC3C(C2C1(C)O)OC(=O)C3=C)C)O
|
352.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
6-Hydroxy-5a-methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3h)-one
|
98958 |
Click to see
CC12CCC3C(C1C(=C)CCC2O)OC(=O)C3=C
|
248.32 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
Reynosin
|
482788 |
Click to see
CC12CCC3C(C1C(=C)CCC2O)OC(=O)C3=C
|
248.32 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Guaianolides and derivatives
|
(2-Hydroperoxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-4-yl) acetate
|
14021337 |
Click to see
CC(=O)OC1CC(C23C=CC(C2C4C1C(=C)C(=O)O4)(OO3)C)(C)OO
|
352.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
(3aR,4S,6aS,9aR,9bS)-6a-hydroperoxy-4-hydroxy-6,9-dimethyl-3-methylidene-4,7,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2-one
|
14829050 |
Click to see
CC1=CCC2(C1C3C(C(C=C2C)O)C(=C)C(=O)O3)OO
|
278.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
(3aS,6S,6aR,9S,9aR,9bR)-6,9-dimethyl-3-methylidene-4,5,6,6a,7,9,9a,9b-octahydro-3aH-azuleno[4,5-b]furan-2,8-dione
|
162944928 |
Click to see
CC1CCC2C(C3C1CC(=O)C3C)OC(=O)C2=C
|
248.32 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
(3R,3aS,6aS,8S,9aR,9bS)-8-hydroxy-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
|
162943882 |
Click to see
CC1C2CCC(=C)C3CC(C(=C)C3C2OC1=O)O
|
248.32 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
(6a-hydroperoxy-9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl) acetate
|
163029895 |
Click to see
CC(=O)OC1CC(=C)C2(C=CC(C2C3C1C(=C)C(=O)O3)(C)O)OO
|
336.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
(6a-Hydroperoxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl) acetate
|
163089146 |
Click to see
CC1=CCC2(C1C3C(C(CC2=C)OC(=O)C)C(=C)C(=O)O3)OO
|
320.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
(6a,9-dihydroxy-9-methyl-3,6-dimethylene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl) acetate
|
14829043 |
Click to see
CC(=O)OC1CC(=C)C2(C=CC(C2C3C1C(=C)C(=O)O3)(C)O)O
|
320.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
(9-hydroperoxy-6a-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl) acetate
|
163050160 |
Click to see
CC(=O)OC1CC(=C)C2(C=CC(C2C3C1C(=C)C(=O)O3)(C)OO)O
|
336.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
[(1R,2R,4S,5R,9S,10S,11S,12R,14S)-2-hydroperoxy-2,11-dimethyl-6-methylidene-7-oxo-8,13,15,16-tetraoxapentacyclo[9.3.2.01,10.05,9.012,14]hexadecan-4-yl] acetate
|
163105663 |
Click to see
CC(=O)OC1CC(C23C(C4C1C(=C)C(=O)O4)C(C5C2O5)(OO3)C)(C)OO
|
368.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
[(1S,2R,4S,5R,9S,10S,11R)-2-hydroperoxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-4-yl] acetate
|
163036647 |
Click to see
CC(=O)OC1CC(C23C=CC(C2C4C1C(=C)C(=O)O4)(OO3)C)(C)OO
|
352.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
[(3aR,4S,6aR,9S,9aR,9bS)-9-hydroperoxy-6a-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate
|
163050162 |
Click to see
CC(=O)OC1CC(=C)C2(C=CC(C2C3C1C(=C)C(=O)O3)(C)OO)O
|
336.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
[(3aR,4S,6aR,9S,9aS,9bS)-6a-hydroperoxy-9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate
|
163029897 |
Click to see
CC(=O)OC1CC(=C)C2(C=CC(C2C3C1C(=C)C(=O)O3)(C)O)OO
|
336.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
[(3aR,4S,6aR,9S,9aS,9bS)-6a,9-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate
|
162976627 |
Click to see
CC(=O)OC1CC(=C)C2(C=CC(C2C3C1C(=C)C(=O)O3)(C)O)O
|
320.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
[(3aR,4S,6aS,9aR,9bS)-6a-hydroperoxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
|
163089147 |
Click to see
CC1=CCC2(C1C3C(C(CC2=C)OC(=O)C)C(=C)C(=O)O3)OO
|
320.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
[(3aR,4S,6aS,9R,9aR,9bS)-9-hydroperoxy-6a-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate
|
163050161 |
Click to see
CC(=O)OC1CC(=C)C2(C=CC(C2C3C1C(=C)C(=O)O3)(C)OO)O
|
336.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
[(3aR,4S,6aS,9R,9aS,9bS)-6a-hydroperoxy-9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate
|
163029896 |
Click to see
CC(=O)OC1CC(=C)C2(C=CC(C2C3C1C(=C)C(=O)O3)(C)O)OO
|
336.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
[(3aR,4S,6aS,9R,9aS,9bS)-6a,9-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate
|
162976626 |
Click to see
CC(=O)OC1CC(=C)C2(C=CC(C2C3C1C(=C)C(=O)O3)(C)O)O
|
320.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
[(4S,6aR,9S,9aS,9bS)-6a,9-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate
|
163188181 |
Click to see
CC(=O)OC1CC(=C)C2(C=CC(C2C3C1C(=C)C(=O)O3)(C)O)O
|
320.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
6,9-dimethyl-3-methylidene-4,5,6,6a,7,9,9a,9b-octahydro-3aH-azuleno[4,5-b]furan-2,8-dione
|
12309022 |
Click to see
CC1CCC2C(C3C1CC(=O)C3C)OC(=O)C2=C
|
248.32 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
6a-hydroperoxy-4-hydroxy-6,9-dimethyl-3-methylidene-4,7,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2-one
|
14829049 |
Click to see
CC1=CCC2(C1C3C(C(C=C2C)O)C(=C)C(=O)O3)OO
|
278.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
8-hydroxy-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
|
14314698 |
Click to see
CC1C2CCC(=C)C3CC(C(=C)C3C2OC1=O)O
|
248.32 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bS,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
|
11876093 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
(6aR,6bR,8aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol
|
145706026 |
Click to see
CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bS,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
|
162942499 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C
|
468.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
4,4,6a,6b,8a,12,14b-Heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol
|
610148 |
Click to see
CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
Lup-20(29)-en-3-ol, (3beta)-
|
521518 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
Lup-20(29)-en-3beta-ol, acetate
|
323074 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C
|
468.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
Lupeol
|
259846 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
Lupeol Acetate
|
92157 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C
|
468.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
Taraxasterol
|
115250 |
Click to see
CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
> 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/S0031-9422(00)83133-7 |
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/S0031-9422(00)83133-7 |
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/S0031-9422(00)83133-7 |
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/S0031-9422(00)83133-7 |
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/S0031-9422(00)83133-7 |
> Organoheterocyclic compounds / Bi- and oligothiophenes
|
(2R)-4-(5-thiophen-2-ylthiophen-2-yl)but-3-yne-1,2-diol
|
163077222 |
Click to see
C1=CSC(=C1)C2=CC=C(S2)C#CC(CO)O
|
250.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
4-([2,2'-Bithiophen]-5-yl)but-3-yne-1,2-diol
|
14186845 |
Click to see
C1=CSC(=C1)C2=CC=C(S2)C#CC(CO)O
|
250.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
|
(3aS,9aR,9bS)-6,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
|
15558827 |
Click to see
CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C(=CC2=O)C
|
244.28 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
(6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl) acetate
|
13918463 |
Click to see
CC1=C2C(C3C(C(C1)OC(=O)C)C(=C)C(=O)O3)C(=CC2=O)C
|
302.32 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
[(3aR,4S,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate
|
13918464 |
Click to see
CC1=C2C(C3C(C(C1)OC(=O)C)C(=C)C(=O)O3)C(=CC2=O)C
|
302.32 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
Dehydroachillin
|
301781 |
Click to see
CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C(=CC2=O)C
|
244.28 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
|
3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoic acid
|
709 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)O)O
|
194.18 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
Ferulic acid
|
445858 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)O)O
|
194.18 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
Eupatolitin
|
5317291 |
Click to see
COC1=C(C(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O)OC
|
346.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 6-O-methylated flavonoids
|
Desmethoxycentaureidin
|
5469524 |
Click to see
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)O
|
330.29 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83133-7 |
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 |
https://doi.org/10.1016/S0031-9422(00)83133-7 |