> Benzenoids / Phenanthrenes and derivatives
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(1R,3R,11R)-8-hydroxy-7,11,15,15-tetramethyl-2-oxatetracyclo[9.4.0.01,3.05,10]pentadeca-5(10),6,8-trien-4-one
|
86302555 |
Click to see
CC1=CC2=C(C=C1O)C3(CCCC(C34C(C2=O)O4)(C)C)C
|
286.40 |
unknown |
https://doi.org/10.1016/J.BMCL.2014.03.051 |
methyl (2R,4aS,6aS,6aS,14aS,14bR)-7,10,11-trihydroxy-2,4a,6a,6a,9,14a-hexamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
|
10553320 |
Click to see
CC1=C2C(=CC(=C1O)O)C3(CCC4(C5CC(CCC5(CCC4(C3=C(C2=O)O)C)C)(C)C(=O)OC)C)C
|
496.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
Methyl 7,10,11-trihydroxy-2,4a,6a,6a,9,14a-hexamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
|
85182724 |
Click to see
CC1=C2C(=CC(=C1O)O)C3(CCC4(C5CC(CCC5(CCC4(C3=C(C2=O)O)C)C)(C)C(=O)OC)C)C
|
496.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
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(4aS,10aS)-5,6-dihydroxy-7-(1-hydroxypropan-2-yl)-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
|
90675931 |
Click to see
CC(CO)C1=C(C(=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O)O
|
332.40 |
unknown |
https://doi.org/10.1016/J.BMCL.2014.03.051 |
(4aS,10aS)-6-hydroxy-7-(1-hydroxypropan-2-yl)-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
|
90675899 |
Click to see
CC(CO)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O
|
316.40 |
unknown |
https://doi.org/10.1016/J.BMCL.2014.03.051 |
(4aS)-6-hydroxy-1,1,4a,7-tetramethyl-3,4-dihydro-2H-phenanthren-9-one
|
90675898 |
Click to see
CC1=CC2=C(C=C1O)C3(CCCC(C3=CC2=O)(C)C)C
|
270.40 |
unknown |
https://doi.org/10.1016/J.BMCL.2014.03.051 |
(4bS,8aR)-2-(2-hydroxypropan-2-yl)-4b,8-dimethyl-6,8a,9,10-tetrahydro-5H-phenanthrene-1,7-diol
|
10851908 |
Click to see
CC1=C(CCC2(C1CCC3=C2C=CC(=C3O)C(C)(C)O)C)O
|
302.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
(4bS,8aS,9R)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-1,9-diol
|
52912457 |
Click to see
CC(C)C1=C(C2=C(C=C1)C3(CCCC(C3C(C2)O)(C)C)C)O
|
302.50 |
unknown |
https://doi.org/10.1016/J.BMCL.2014.03.051 |
11-Hydroxysugiol
|
10403490 |
Click to see
CC(C)C1=C(C(=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O)O
|
316.40 |
unknown |
https://doi.org/10.1016/J.BMCL.2014.03.051 |
2-(2-hydroxypropan-2-yl)-4b,8-dimethyl-6,8a,9,10-tetrahydro-5H-phenanthrene-1,7-diol
|
85289431 |
Click to see
CC1=C(CCC2(C1CCC3=C2C=CC(=C3O)C(C)(C)O)C)O
|
302.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
Nimbiol
|
11119228 |
Click to see
CC1=CC2=C(C=C1O)C3(CCCC(C3CC2=O)(C)C)C
|
272.40 |
unknown |
https://doi.org/10.1016/J.BMCL.2014.03.051 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones
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(4aS,11bS)-11-hydroxy-4,4,8,11b-tetramethyl-2,3,4a,5,6,8-hexahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
|
90675900 |
Click to see
CC1C2=C(C(=C3C(=C2)CCC4C3(CCCC4(C)C)C)O)OC1=O
|
314.40 |
unknown |
https://doi.org/10.1016/J.BMCL.2014.03.051 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
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10-Hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
|
4274774 |
Click to see
CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O
|
450.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
24-Nor-D:A-friedooleana-1(10),5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester
|
264268 |
Click to see
CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C)O
|
464.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
29-Hydroxyfriedelan-3-one
|
14108943 |
Click to see
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)CO)C)C)C)C)C
|
442.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
Celastrol
|
122724 |
Click to see
CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O
|
450.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
D:A-Friedooleanan-3-one, 29-hydroxy-, (20alpha)-
|
588284 |
Click to see
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)CO)C)C)C)C)C
|
442.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
Pristimerin
|
159516 |
Click to see
CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C)O
|
464.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones / Cardenolides and derivatives / Cardenolide glycosides and derivatives
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(3S,5R,8R,9S,10R,11R,13R,14S,17R)-11,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
|
10745251 |
Click to see
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C=O)O)O)O
|
550.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
(3S,5R,8S,9S,10R,11R,13R,14S,17R)-11,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
|
162985135 |
Click to see
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C=O)O)O)O
|
550.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
(3S,5R,8S,9S,10R,11R,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
|
162950439 |
Click to see
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C=O)O)O)OC7C(C(C(C(O7)CO)O)O)O
|
712.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
(3S,5S,8S,9R,10S,11R,13R,14S,17R)-5,11,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
163088074 |
Click to see
CC1C(C(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)C=O)O)O)O
|
566.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
11,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
|
85149041 |
Click to see
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C=O)O)O)O
|
550.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
3-[(3S,5R,8R,9S,10R,11R,13R,14S,17R)-11,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
10721430 |
Click to see
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)CO)O)O)O
|
552.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
10628480 |
Click to see
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)O)OC7C(C(C(C(O7)CO)O)O)O
|
698.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
3-[(3S,5R,8S,9S,10R,11R,13R,14S,17R)-11,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
162912292 |
Click to see
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)CO)O)O)O
|
552.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
3-[(3S,5R,8S,9S,10S,11R,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
162964981 |
Click to see
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)O)OC7C(C(C(C(O7)CO)O)O)O
|
698.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
3-[11,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
12310255 |
Click to see
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)CO)O)O)O
|
552.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
3-[3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
78076507 |
Click to see
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)O)OC7C(C(C(C(O7)CO)O)O)O
|
698.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
|
85184450 |
Click to see
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C=O)O)O)OC7C(C(C(C(O7)CO)O)O)O
|
712.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
3beta-[(4-O-alpha-D-Allopyranosyl-6-deoxy-beta-D-allopyranosyl)oxy]-11alpha,14-dihydroxy-19-oxo-5beta-carda-20(22)-enolide
|
10556762 |
Click to see
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C=O)O)O)OC7C(C(C(C(O7)CO)O)O)O
|
712.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
3beta-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,11alpha,14-trihydroxy-19-oxo-5beta-card-20(22)-enolide
|
12315321 |
Click to see
CC1C(C(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)C=O)O)O)O
|
566.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
Canescein
|
10603058 |
Click to see
CC1C(C(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)C=O)O)O)O
|
566.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Epigallocatechins
|
(-)-Egc-4'-O-ME
|
53463000 |
Click to see
COC1=C(C=C(C=C1O)C2C(CC3=C(C=C(C=C3O2)O)O)O)O
|
320.29 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
4'-Methyl-epigallocatechin
|
176920 |
Click to see
COC1=C(C=C(C=C1O)C2C(CC3=C(C=C(C=C3O2)O)O)O)O
|
320.29 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
4'-O-Methylgallocatechin
|
44257120 |
Click to see
COC1=C(C=C(C=C1O)C2C(CC3=C(C=C(C=C3O2)O)O)O)O
|
320.29 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00144-8 |
> Phenylpropanoids and polyketides / Isochromanequinones
|
Coronatoquinone
|
137182751 |
Click to see
CC1=CC2=C(C(O1)O)C(=C3C(=C2O)C(=O)C(=C(C3=O)O)OC)O
|
320.25 |
unknown |
https://doi.org/10.1016/J.BMCL.2014.03.051 |