> Lignans, neolignans and related compounds / Furanoid lignans
|
Episesamin
|
5204 |
Click to see
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
|
354.40 |
unknown |
https://doi.org/10.1021/NP800474V |
Sesamin
|
72307 |
Click to see
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
|
354.40 |
unknown |
https://doi.org/10.1021/NP800474V |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
|
2-(8a-hydroxy-4a-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)prop-2-enoic acid
|
14705650 |
Click to see
CC12CCCC(=C)C1(CC(CC2)C(=C)C(=O)O)O
|
250.33 |
unknown |
https://doi.org/10.1021/NP800474V |
5beta-Hydroxycostic acid
|
637286 |
Click to see
CC12CCCC(=C)C1(CC(CC2)C(=C)C(=O)O)O
|
250.33 |
unknown |
https://doi.org/10.1021/NP800474V |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
|
(1R,2R,3S,5R,8E,11R)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one
|
163018265 |
Click to see
CC1=CCCC2(C(O2)C(C3C(C1)OC(=O)C3=C)O)C
|
264.32 |
unknown |
https://doi.org/10.1021/NP800474V |
(1S,2S,3R,5S,8E,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one
|
14191568 |
Click to see
CC1=CCCC2(C(O2)C(C3C(C1)OC(=O)C3=C)O)C
|
264.32 |
unknown |
https://doi.org/10.1021/NP800474V |
(3aR,4S,5E,9R,11aS)-4,9-dihydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
|
5417065 |
Click to see
CC1=CC(C2C(CC(=C)C(CC1)O)OC(=O)C2=C)O
|
264.32 |
unknown |
https://doi.org/10.1021/NP800474V |
(6-Methyl-3,10-dimethylidene-2,9-dioxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl) 2-methylbut-2-enoate
|
74400135 |
Click to see
CC=C(C)C(=O)OC1C=C(CCC(=O)C(=C)CC2C1C(=C)C(=O)O2)C
|
344.40 |
unknown |
https://doi.org/10.1021/NP800474V |
(7-hydroxy-6-methyl-3,10-dimethylidene-2-oxo-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-11-yl) acetate
|
74397070 |
Click to see
CC1=CCC2C(C(C(=C)CCC1O)OC(=O)C)OC(=O)C2=C
|
306.40 |
unknown |
https://doi.org/10.1021/NP800474V |
[(3aR,4R,5E,11aS)-6-methyl-3,10-dimethylidene-2,9-dioxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
|
25180122 |
Click to see
CC=C(C)C(=O)OC1C=C(CCC(=O)C(=C)CC2C1C(=C)C(=O)O2)C
|
344.40 |
unknown |
https://doi.org/10.1021/NP800474V |
[(3aS,5E,7R,11S,11aS)-7-hydroxy-6-methyl-3,10-dimethylidene-2-oxo-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-11-yl] acetate
|
162857978 |
Click to see
CC1=CCC2C(C(C(=C)CCC1O)OC(=O)C)OC(=O)C2=C
|
306.40 |
unknown |
https://doi.org/10.1021/NP800474V |
2-Hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one
|
181707 |
Click to see
CC1=CCCC2(C(O2)C(C3C(C1)OC(=O)C3=C)O)C
|
264.32 |
unknown |
https://doi.org/10.1021/NP800474V |
4-Hydroxy-6-methyl-3,10-dimethylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2,9-dione
|
556782 |
Click to see
CC1=CC(C2C(CC(=C)C(=O)CC1)OC(=O)C2=C)O
|
262.30 |
unknown |
https://doi.org/10.1021/NP800474V |
4,9-dihydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
|
4437183 |
Click to see
CC1=CC(C2C(CC(=C)C(CC1)O)OC(=O)C2=C)O
|
264.32 |
unknown |
https://doi.org/10.1021/NP800474V |
Tamirin
|
10106765 |
Click to see
CC1=CC(C2C(CC(=C)C(=O)CC1)OC(=O)C2=C)O
|
262.30 |
unknown |
https://doi.org/10.1021/NP800474V |
tatridin B
|
14191260 |
Click to see
CC1=CC(C2C(CC(=C)C(CC1)O)OC(=O)C2=C)O
|
264.32 |
unknown |
https://doi.org/10.1021/NP800474V |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Eudesmanolides, secoeudesmanolides, and derivatives
|
(3Ar,4r,4as,8r,8ar,9as)-8-hydroxy-8a-methyl-3,5-dimethylidene-2-oxododecahydronaphtho[2,3-b]furan-4-yl acetate
|
279214 |
Click to see
CC(=O)OC1C2C(CC3(C1C(=C)CCC3O)C)OC(=O)C2=C
|
306.40 |
unknown |
https://doi.org/10.1021/NP800474V |
(4-Acetyloxy-5-hydroxy-5,8a-dimethyl-3-methylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-8-yl) acetate
|
14109615 |
Click to see
CC(=O)OC1CCC(C2C1(CC3C(C2OC(=O)C)C(=C)C(=O)O3)C)(C)O
|
366.40 |
unknown |
https://doi.org/10.1021/NP800474V |
(4-Acetyloxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-6-yl) acetate
|
74397071 |
Click to see
CC(=O)OC1CCC(=C)C2C1(CC(C3C2OC(=O)C3=C)OC(=O)C)C
|
348.40 |
unknown |
https://doi.org/10.1021/NP800474V |
(4,5-Dihydroxy-5,8a-dimethyl-3-methylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-8-yl) acetate
|
75053399 |
Click to see
CC(=O)OC1CCC(C2C1(CC3C(C2O)C(=C)C(=O)O3)C)(C)O
|
324.40 |
unknown |
https://doi.org/10.1021/NP800474V |
(8-Hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl) 2-methylbut-2-enoate
|
299919 |
Click to see
CC=C(C)C(=O)OC1C2C(CC3(C1C(=C)CCC3O)C)OC(=O)C2=C
|
346.40 |
unknown |
https://doi.org/10.1021/NP800474V |
(8-Hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl) acetate
|
424951 |
Click to see
CC(=O)OC1C2C(CC3(C1C(=C)CCC3O)C)OC(=O)C2=C
|
306.40 |
unknown |
https://doi.org/10.1021/NP800474V |
[(3aR,4S,4aS,5R,8R,8aR,9aS)-4-acetyloxy-5-hydroxy-5,8a-dimethyl-3-methylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-8-yl] acetate
|
14109616 |
Click to see
CC(=O)OC1CCC(C2C1(CC3C(C2OC(=O)C)C(=C)C(=O)O3)C)(C)O
|
366.40 |
unknown |
https://doi.org/10.1021/NP800474V |
[(3aR,4S,5aR,6R,9aR,9bR)-4-acetyloxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-6-yl] acetate
|
162876458 |
Click to see
CC(=O)OC1CCC(=C)C2C1(CC(C3C2OC(=O)C3=C)OC(=O)C)C
|
348.40 |
unknown |
https://doi.org/10.1021/NP800474V |
[(3aS,4R,4aS,8R,8aR,9aS)-8-hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] acetate
|
14756429 |
Click to see
CC(=O)OC1C2C(CC3(C1C(=C)CCC3O)C)OC(=O)C2=C
|
306.40 |
unknown |
https://doi.org/10.1021/NP800474V |
[(3aS,4R,8R,8aR,9aS)-8-hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] acetate
|
163186175 |
Click to see
CC(=O)OC1C2C(CC3(C1C(=C)CCC3O)C)OC(=O)C2=C
|
306.40 |
unknown |
https://doi.org/10.1021/NP800474V |
[(3aS,4S,4aS,5R,8R,8aR,9aS)-4,5-dihydroxy-5,8a-dimethyl-3-methylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-8-yl] acetate
|
162971457 |
Click to see
CC(=O)OC1CCC(C2C1(CC3C(C2O)C(=C)C(=O)O3)C)(C)O
|
324.40 |
unknown |
https://doi.org/10.1021/NP800474V |
Chrysanin
|
101316713 |
Click to see
CC=C(C)C(=O)OC1C2C(CC3(C1C(=C)CCC3O)C)OC(=O)C2=C
|
346.40 |
unknown |
https://doi.org/10.1021/NP800474V |
Deacetyl-beta-cyclopyrethrosin
|
21629647 |
Click to see
CC12CC3C(C(C1C(=C)CCC2O)O)C(=C)C(=O)O3
|
264.32 |
unknown |
https://doi.org/10.1021/NP800474V |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
|
(3aS,4R,5Z,9S,10E,11aS)-4,9-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one
|
163187151 |
Click to see
CC1=CC(C2C(C=C(C(CC1)O)C)OC(=O)C2=C)O
|
264.32 |
unknown |
https://doi.org/10.1021/NP800474V |
(3aS,4S,5E,9R,10Z,11aR)-4,9-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one
|
163075601 |
Click to see
CC1=CC(C2C(C=C(C(CC1)O)C)OC(=O)C2=C)O
|
264.32 |
unknown |
https://doi.org/10.1021/NP800474V |
4,9-Dihydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one
|
72731791 |
Click to see
CC1=CC(C2C(C=C(C(CC1)O)C)OC(=O)C2=C)O
|
264.32 |
unknown |
https://doi.org/10.1021/NP800474V |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Guaianolides and derivatives
|
(3R,3aR,4R,6aR,8S,9R,9aR,9bR)-4-hydroxy-3,9-dimethyl-6-methylidene-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one
|
162984404 |
Click to see
CC1C(CC2C1C3C(C(C(=O)O3)C)C(CC2=C)O)OC4C(C(C(C(O4)CO)O)O)O
|
428.50 |
unknown |
https://doi.org/10.1021/NP800474V |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives
|
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,6S)-6-ethyl-7-methyloct-4-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
|
163014092 |
Click to see
CCC(C=CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP800474V |
17-(6-ethyl-7-methyloct-4-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
|
163014091 |
Click to see
CCC(C=CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP800474V |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-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
|
12314479 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1021/NP800474V |
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
|
(5S)-5-[(1E,4S)-4-hydroxy-4-methylhexa-1,5-dienyl]-5-methyloxolan-2-one
|
162895885 |
Click to see
CC1(CCC(=O)O1)C=CCC(C)(C=C)O
|
210.27 |
unknown |
https://doi.org/10.1021/NP800474V |
(5S)-5-[(2E,5S)-5-hydroxy-5-methylhepta-2,6-dien-2-yl]oxolan-2-one
|
163190372 |
Click to see
CC(=CCC(C)(C=C)O)C1CCC(=O)O1
|
210.27 |
unknown |
https://doi.org/10.1021/NP800474V |
(5S)-5-[(5S)-5-hydroxy-5-methylhepta-2,6-dien-2-yl]oxolan-2-one
|
163002721 |
Click to see
CC(=CCC(C)(C=C)O)C1CCC(=O)O1
|
210.27 |
unknown |
https://doi.org/10.1021/NP800474V |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
|
Scopoletin
|
5280460 |
Click to see
COC1=C(C=C2C(=C1)C=CC(=O)O2)O
|
192.17 |
unknown |
https://doi.org/10.1021/NP800474V |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 6-O-methylated flavonoids
|
4',5,7-Trihydroxy-3,6-dimethoxyflavone
|
5352032 |
Click to see
COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O
|
330.29 |
unknown |
https://doi.org/10.1021/NP800474V |
Axillarin
|
5281603 |
Click to see
COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O
|
346.30 |
unknown |
https://doi.org/10.1021/NP800474V |