> Benzenoids / Benzene and substituted derivatives / Styrenes
|
(E)-N-[4-(4-methyl-5-oxo-2H-pyrrol-1-yl)butyl]-3-phenylprop-2-enamide
|
12043531 |
Click to see
CC1=CCN(C1=O)CCCCNC(=O)C=CC2=CC=CC=C2
|
298.40 |
unknown |
https://doi.org/10.1055/S-2006-957557 |
4-hydroxy-2-methyl-N-[4-(3-phenylprop-2-enoylamino)butyl]but-2-enamide
|
85354018 |
Click to see
CC(=CCO)C(=O)NCCCCNC(=O)C=CC1=CC=CC=C1
|
316.40 |
unknown |
https://doi.org/10.1021/NP0304417 |
> Benzenoids / Phenol ethers / Anisoles
|
(4S)-5-oxo-2-pyrrol-1-yl-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydrochromene-3-carbonitrile
|
7347487 |
Click to see
COC1=C(C(=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N4C=CC=C4)C#N)OC)OC
|
406.40 |
unknown |
https://doi.org/10.1021/NP0304417 |
> Lipids and lipid-like molecules / Fatty Acyls / Eicosanoids / Prostaglandins and related compounds
|
2-(4,8-Dimethyl-5,12-dioxo-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl)acetic acid
|
85281637 |
Click to see
CC12CCC(=O)C1(CCC34C2CCC(=O)C3(C4)CC(=O)O)C
|
304.40 |
unknown |
https://doi.org/10.1021/NP9905923 |
2-[(1S,4S,8S,9S,13R)-4,8-dimethyl-5,12-dioxo-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]acetic acid
|
10828351 |
Click to see
CC12CCC(=O)C1(CCC34C2CCC(=O)C3(C4)CC(=O)O)C
|
304.40 |
unknown |
https://doi.org/10.1021/NP9905923 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl thioesters / Enoyl CoAs / 2-enoyl CoAs
|
Caffeoyl-coa
|
11966126 |
Click to see
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC(=C(C=C4)O)O)O
|
929.70 |
unknown |
https://doi.org/10.1021/NP0304417 https://doi.org/10.1016/J.PHYMED.2009.10.015 |
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids
|
3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(E,2S)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
|
44575598 |
Click to see
CC(=C)C1CCC2(C(C1(C)CCC(=O)O)CCC3C2(CCC3C(C)(CC=CC(C)(C)O)O)C)C
|
474.70 |
unknown |
https://doi.org/10.1021/NP0304417 https://doi.org/10.1016/J.PHYMED.2009.10.015 |
3-[3-(2,6-Dihydroxy-6-methylhept-4-en-2-yl)-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
|
75048994 |
Click to see
CC(=C)C1CCC2(C(C1(C)CCC(=O)O)CCC3C2(CCC3C(C)(CC=CC(C)(C)O)O)C)C
|
474.70 |
unknown |
https://doi.org/10.1021/NP0304417 https://doi.org/10.1016/J.PHYMED.2009.10.015 |
Dammarenolic acid
|
22215841 |
Click to see
CC(=CCCC(C)(C1CCC2(C1CCC3C2(CCC(C3(C)CCC(=O)O)C(=C)C)C)C)O)C
|
458.70 |
unknown |
https://doi.org/10.1021/NP0304417 https://doi.org/10.1016/J.PHYMED.2009.10.015 |
methyl 3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(E,2S)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate
|
44575599 |
Click to see
CC(=C)C1CCC2(C(C1(C)CCC(=O)OC)CCC3C2(CCC3C(C)(CC=CC(C)(C)O)O)C)C
|
488.70 |
unknown |
https://doi.org/10.1021/NP0304417 |
methyl 3-[(3S,3aR,5aR,6S,7S,9aR,9bS)-3a,6,9a,9b-tetramethyl-3-[(2R)-2-methyl-5-oxooxolan-2-yl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate
|
163014071 |
Click to see
CC(=C)C1CCC2(C(C1(C)CCC(=O)OC)CCC3(C2(CCC3C4(CCC(=O)O4)C)C)C)C
|
458.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2009.10.015 |
Methyl 3-[3-(2,6-dihydroxy-6-methylhept-4-en-2-yl)-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate
|
75048995 |
Click to see
CC(=C)C1CCC2(C(C1(C)CCC(=O)OC)CCC3C2(CCC3C(C)(CC=CC(C)(C)O)O)C)C
|
488.70 |
unknown |
https://doi.org/10.1021/NP0304417 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Diterpene glycosides
|
3-[(3aS,5aR,6S,9aR,9bR)-3-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
|
138113877 |
Click to see
CC(=C)C1CCC2(C(C1(C)CCC(=O)O)CCC3C2(CCC3C4(CCC(O4)C(C)(C)O)C)C)C
|
474.70 |
unknown |
https://doi.org/10.1021/NP0304417 |
3,4-Secodammar-4(28)-en-3-oic acid, 20,24-epoxy-25-hydroxy-, (24S)-
|
588519 |
Click to see
CC(=C)C1CCC2(C(C1(C)CCC(=O)O)CCC3C2(CCC3C4(CCC(O4)C(C)(C)O)C)C)C
|
474.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2009.10.015 https://doi.org/10.1021/NP0304417 |
Eichlerianic acid
|
12315516 |
Click to see
CC(=C)C1CCC2(C(C1(C)CCC(=O)O)CCC3C2(CCC3C4(CCC(O4)C(C)(C)O)C)C)C
|
474.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2009.10.015 |
Shoreic acid
|
12315515 |
Click to see
CC(=C)C1CCC2(C(C1(C)CCC(=O)O)CCC3C2(CCC3C4(CCC(O4)C(C)(C)O)C)C)C
|
474.70 |
unknown |
https://doi.org/10.1021/NP0304417 https://doi.org/10.1016/J.PHYMED.2009.10.015 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
|
(20R,24S)-20,24-Epoxy-25-hydroxydammaran-3-one
|
4357290 |
Click to see
CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)C)C
|
458.70 |
unknown |
https://doi.org/10.1021/NP0304417 |
Cabraleone
|
21625900 |
Click to see
CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)C)C
|
458.70 |
unknown |
https://doi.org/10.1021/NP0304417 |
Ocotillone
|
12313665 |
Click to see
CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)C)C
|
458.70 |
unknown |
https://doi.org/10.1021/NP0304417 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(3S,5R,8R,9R,10R,13R,14R,17S)-17-[4-[(2S)-3,3-dimethyloxiran-2-yl]but-1-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
57404316 |
Click to see
CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC4C(=C)CCC5C(O5)(C)C)C)C)C
|
442.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2009.10.015 |
(5R,8R,9S,10R,13R,14R,17S)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,10,14-tetramethyl-2,5,6,7,8,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
|
163065584 |
Click to see
CC1(C2CCC3C(C2(CCC1=O)C)CCC4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)C
|
444.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2009.10.015 |
(5R,8R,9S,10R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,10,14-tetramethyl-2,5,6,7,8,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
|
124928693 |
Click to see
CC1(C2CCC3C(C2(CCC1=O)C)CCC4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)C
|
444.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2009.10.015 |
17-(2,6-Dihydroxy-6-methylhept-4-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
162940507 |
Click to see
CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC4C(C)(CC=CC(C)(C)O)O)C)C)C
|
458.70 |
unknown |
https://doi.org/10.1021/NP9905923 |
17-(5,6-Dihydroxy-6-methylhept-1-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
74933430 |
Click to see
CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC4C(=C)CCC(C(C)(C)O)O)C)C)C
|
458.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2009.10.015 |
17-[4-(3,3-Dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
3691820 |
Click to see
CC(CC(C1C(O1)(C)C)O)C2CCC3(C2(CCC4C3=CCC5C4(CCC(=O)C5(C)C)C)C)C
|
456.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2009.10.015 |
20,24-Dihydroxydammar-25-en-3-one
|
73800741 |
Click to see
CC(=C)C(CCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CCC(=O)C4(C)C)C)C)C)O)O
|
458.70 |
unknown |
https://doi.org/10.1021/NP9905923 |
20S,24S-dihydroxydammer-25-en-3-one
|
21607677 |
Click to see
CC(=C)C(CCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CCC(=O)C4(C)C)C)C)C)O)O
|
458.70 |
unknown |
https://doi.org/10.1021/NP9905923 |
24,25-Epoxydammar-20(21)-en-3-one
|
91668417 |
Click to see
CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC4C(=C)CCC5C(O5)(C)C)C)C)C
|
440.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2009.10.015 |
4,4,10,13,14-Pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
14021536 |
Click to see
CC(CC(C(C(C)(C)O)O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C
|
474.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2009.10.015 |
CID 101087017
|
101087017 |
Click to see
CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC4C(=C)CCC(C(C)(C)O)O)C)C)C
|
458.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2009.10.015 |
CID 14021529
|
14021529 |
Click to see
CC(CC(C1C(O1)(C)C)O)C2CCC3(C2(CCC4C3=CCC5C4(CCC(=O)C5(C)C)C)C)C
|
456.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2009.10.015 |
Isofouquierone
|
101281214 |
Click to see
CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC4C(C)(CC=CC(C)(C)O)O)C)C)C
|
458.70 |
unknown |
https://doi.org/10.1021/NP9905923 |
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/J.PHYMED.2009.10.015 |
Lup-20(29)-en-3-one
|
323075 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C
|
424.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2009.10.015 |
Lupenone
|
92158 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C
|
424.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2009.10.015 |
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/J.PHYMED.2009.10.015 |
Piscidinol A
|
12004524 |
Click to see
CC(CC(C(C(C)(C)O)O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C
|
474.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2009.10.015 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Androstane steroids / Androgens and derivatives
|
(6S,8R,9S,10R,13S,14S)-6-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
|
21603495 |
Click to see
CC12CCC3C(C1CCC2=O)CC(C4=CC(=O)C=CC34C)O
|
300.40 |
unknown |
https://doi.org/10.1021/NP9905923 |
(8R,9S,10S,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
|
12882269 |
Click to see
CC12CCC3C(C1CCC2=O)CCC4=CC(=O)C=CC34C
|
284.40 |
unknown |
https://doi.org/10.1021/NP9905923 |
10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
|
2192 |
Click to see
CC12CCC3C(C1CCC2=O)CCC4=CC(=O)C=CC34C
|
284.40 |
unknown |
https://doi.org/10.1021/NP9905923 |
6-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
|
14372329 |
Click to see
CC12CCC3C(C1CCC2=O)CC(C4=CC(=O)C=CC34C)O
|
300.40 |
unknown |
https://doi.org/10.1021/NP9905923 |
Androsta-1,4-diene-3,17-dione
|
13472 |
Click to see
CC12CCC3C(C1CCC2=O)CCC4=CC(=O)C=CC34C
|
284.40 |
unknown |
https://doi.org/10.1021/NP9905923 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Pentahydroxy bile acids, alcohols and derivatives
|
(2S,3S)-2-[(3S,4R,8S,9S,10R,13S,14S,17S)-3,4-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptane-2,3,6-triol
|
44575597 |
Click to see
CC12CCC3C(C1CCC2C(C)(C(CC(=C)C(C)(C)O)O)O)CC=C4C3(CCC(C4O)O)C
|
462.70 |
unknown |
https://doi.org/10.1021/NP0304417 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Trihydroxy bile acids, alcohols and derivatives
|
(3S,4R,5R,9R,10R,13R,14R,17R)-17-[(2S,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
|
11327511 |
Click to see
CC(C1CCC2C1(CCC3C2=CCC4C3(CCC(C4O)O)C)C)C(CC=C(C)C)O
|
416.60 |
unknown |
https://doi.org/10.1021/NP0304417 |
(3S,4R,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
|
162965079 |
Click to see
CC(C)C(=C)CC(C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4O)O)C)C)O
|
430.70 |
unknown |
https://doi.org/10.1021/NP0304417 |
(3S,4R,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
|
10811987 |
Click to see
CC(C)CCC(C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4O)O)C)C)O
|
418.70 |
unknown |
https://doi.org/10.1021/NP9905923 |
(3S,4R,9R,10R,13R,14R,17R)-17-[(2S,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
|
44575585 |
Click to see
CC(C1CCC2C1(CCC3C2=CCC4C3(CCC(C4O)O)C)C)C(CC=C(C)C)O
|
416.60 |
unknown |
https://doi.org/10.1021/NP0304417 |
17-(3-hydroxy-6-methyl-5-methylideneheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
|
85813903 |
Click to see
CC(C)C(=C)CC(C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4O)O)C)C)O
|
430.70 |
unknown |
https://doi.org/10.1021/NP0304417 |
17-(3-hydroxy-6-methylhept-5-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
|
72802839 |
Click to see
CC(C1CCC2C1(CCC3C2=CCC4C3(CCC(C4O)O)C)C)C(CC=C(C)C)O
|
416.60 |
unknown |
https://doi.org/10.1021/NP0304417 |
17-(3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
|
85276020 |
Click to see
CC(C)CCC(C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4O)O)C)C)O
|
418.70 |
unknown |
https://doi.org/10.1021/NP9905923 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives
|
(2S,3S,4R,5R,9R,10R,13R,14R,17R)-17-[(1S)-1-[(2R)-5,5-dimethyloxolan-2-yl]ethyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3,4-triol
|
10598871 |
Click to see
CC(C1CCC2C1(CCC3C2=CCC4C3(CC(C(C4O)O)O)C)C)C5CCC(O5)(C)C
|
432.60 |
unknown |
https://doi.org/10.1021/NP9905923 |
(3S,4R,5R,9R,10R,13R,14R,17R)-17-[(1S)-1-[(2R)-5,5-dimethyloxolan-2-yl]ethyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
|
10669615 |
Click to see
CC(C1CCC2C1(CCC3C2=CCC4C3(CCC(C4O)O)C)C)C5CCC(O5)(C)C
|
416.60 |
unknown |
https://doi.org/10.1021/NP9905923 |
17-[1-(5,5-dimethyloxolan-2-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3,4-triol
|
85200104 |
Click to see
CC(C1CCC2C1(CCC3C2=CCC4C3(CC(C(C4O)O)O)C)C)C5CCC(O5)(C)C
|
432.60 |
unknown |
https://doi.org/10.1021/NP9905923 |
17-[1-(5,5-dimethyloxolan-2-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
|
85226196 |
Click to see
CC(C1CCC2C1(CCC3C2=CCC4C3(CCC(C4O)O)C)C)C5CCC(O5)(C)C
|
416.60 |
unknown |
https://doi.org/10.1021/NP9905923 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives
|
(1S,3R,6S,7R,8R,11S,12S,15R,16R)-7-(hydroxymethyl)-15-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
10766327 |
Click to see
CC(CC=CC(C)(C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)CO)O)C)C
|
458.70 |
unknown |
https://doi.org/10.1021/NP9905923 |
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]butan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
44566812 |
Click to see
CC(CCC1C(O1)(C)C)C2CCC3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)O)C)C
|
442.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2009.10.015 |
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0^{1,3.0^{3,8.0^{12,16]octadecan-6-ol
|
496638 |
Click to see
CC(CC=CC(C)(C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
442.70 |
unknown |
https://doi.org/10.1021/NP9905923 |
(1S,3R,8R,11S,12S,15R,16R)-15-[(2R,5R)-1,5-dihydroxy-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
162957601 |
Click to see
CC(=C)C(CCC(CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C)O
|
456.70 |
unknown |
https://doi.org/10.1021/NP9905923 |
(3S,6R)-6-[(1S,3R,6S,7S,8R,11S,12S,15R,16R)-6-hydroxy-7,12,16-trimethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptane-2,3-diol
|
162871028 |
Click to see
CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1O)C)C(C)CCC(C(C)(C)O)O)C
|
446.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2009.10.015 |
15-(1,5-Dihydroxy-6-methylhept-6-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
85252199 |
Click to see
CC(=C)C(CCC(CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C)O
|
456.70 |
unknown |
https://doi.org/10.1021/NP9905923 |
15-[4-(3,3-Dimethyloxiran-2-yl)butan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
73310995 |
Click to see
CC(CCC1C(O1)(C)C)C2CCC3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)O)C)C
|
442.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2009.10.015 |
4alpha-Hydroxymethyl-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol
|
21603496 |
Click to see
CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)CO)O)C)C
|
442.70 |
unknown |
https://doi.org/10.1021/NP9905923 |
7-(Hydroxymethyl)-15-(6-hydroxy-6-methylhept-4-en-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
85260545 |
Click to see
CC(CC=CC(C)(C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)CO)O)C)C
|
458.70 |
unknown |
https://doi.org/10.1021/NP9905923 |
7-(Hydroxymethyl)-7,12,16-trimethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
14524555 |
Click to see
CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)CO)O)C)C
|
442.70 |
unknown |
https://doi.org/10.1021/NP9905923 |
Cycloart-23-ene-3beta,25-diol
|
5470009 |
Click to see
CC(CC=CC(C)(C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
442.70 |
unknown |
https://doi.org/10.1021/NP9905923 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
(2R,3R,4S,5S,6S)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-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-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
154496016 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1021/NP9905923 |
14-(5-Ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol
|
5318414 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C)C(C)C
|
430.70 |
unknown |
https://doi.org/10.1021/NP9905923 |
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/10.1021/NP9905923 https://doi.org/10.1021/NP0304417 |
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/10.1021/NP9905923 |
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/10.1021/NP9905923 https://doi.org/10.1021/NP0304417 |
beta-Sitosterol 3-O-beta-D-galactopyranoside
|
296119 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1021/NP9905923 https://doi.org/10.1021/NP0304417 |
Ikshusterol
|
161816 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C)C(C)C
|
430.70 |
unknown |
https://doi.org/10.1021/NP9905923 |
Sitogluside
|
5742590 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1021/NP9905923 https://doi.org/10.1021/NP0304417 |
> Organoheterocyclic compounds / Benzofurans / Flavaglines
|
(1R)-2,3,3a,8b-Tetrahydro-1alpha-acetoxy-8bbeta-hydroxy-6,8-dimethoxy-3abeta-(4-methoxyphenyl)-3beta-phenyl-1H-cyclopenta[b]benzofuran-2alpha-carboxylic acid methyl ester
|
10530360 |
Click to see
CC(=O)OC1C(C(C2(C1(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5)C(=O)OC
|
534.60 |
unknown |
https://doi.org/10.1021/NP0304417 |
[8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1-yl] acetate
|
72817575 |
Click to see
CC(=O)OC1CC(C2(C1(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5
|
476.50 |
unknown |
https://doi.org/10.1021/NP0304417 |
1-acetyloxy-8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylic acid
|
75048987 |
Click to see
CC(=O)OC1C(C(C2(C1(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5)C(=O)O
|
520.50 |
unknown |
https://doi.org/10.1021/NP0304417 |
1-O-acetylmethyl rocaglate
|
44575584 |
Click to see
CC(=O)OC1C(C(C2(C1(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5)C(=O)O
|
520.50 |
unknown |
https://doi.org/10.1021/NP0304417 |
1-O-acetylrocaglaol
|
11363545 |
Click to see
CC(=O)OC1CC(C2(C1(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5
|
476.50 |
unknown |
https://doi.org/10.1021/NP0304417 |
1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylic acid
|
14238124 |
Click to see
COC1=CC=C(C=C1)C23C(C(C(C2(C4=C(O3)C=C(C=C4OC)OC)O)O)C(=O)O)C5=CC=CC=C5
|
478.50 |
unknown |
https://doi.org/10.1021/NP0304417 |
Aglafoline
|
393601 |
Click to see
COC1=CC=C(C=C1)C23C(C(C(C2(C4=C(O3)C=C(C=C4OC)OC)O)O)C(=O)OC)C5=CC=CC=C5
|
492.50 |
unknown |
https://doi.org/10.1021/NP0304417 |
methyl 1-acetyloxy-8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
|
85173830 |
Click to see
CC(=O)OC1C(C(C2(C1(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5)C(=O)OC
|
534.60 |
unknown |
https://doi.org/10.1021/NP0304417 |
Rocaglamide J
|
4132 |
Click to see
COC1=CC=C(C=C1)C23C(C(C(C2(C4=C(O3)C=C(C=C4OC)OC)O)O)C(=O)OC)C5=CC=CC=C5
|
492.50 |
unknown |
https://doi.org/10.1021/NP0304417 |
Rocagloic Acid
|
10322821 |
Click to see
COC1=CC=C(C=C1)C23C(C(C(C2(C4=C(O3)C=C(C=C4OC)OC)O)O)C(=O)O)C5=CC=CC=C5
|
478.50 |
unknown |
https://doi.org/10.1021/NP0304417 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acid amides
|
N-[4-(2-Methyl-4-hydroxy-2-butenoylamino)butyl]cinnamamide
|
10980024 |
Click to see
CC(=CCO)C(=O)NCCCCNC(=O)C=CC1=CC=CC=C1
|
316.40 |
unknown |
https://doi.org/10.1021/NP0304417 |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
|
(+/-)-Eriodictyol
|
11095 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
|
288.25 |
unknown |
https://doi.org/10.1021/NP0304417 |
(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
|
667495 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
|
272.25 |
unknown |
https://doi.org/10.1021/NP0304417 |
5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
|
932 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
|
272.25 |
unknown |
https://doi.org/10.1021/NP0304417 |
Eriodictyol
|
440735 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
|
288.25 |
unknown |
https://doi.org/10.1021/NP0304417 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
Kaempferol 3,7,4'-trimethyl ether
|
5468749 |
Click to see
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC
|
328.30 |
unknown |
https://doi.org/10.1021/NP0304417 |