> Benzenoids / Benzene and substituted derivatives / Acetophenones
|
(5-Acetyl-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-3-yl) 4-acetyloxy-2-methylbut-2-enoate
|
163009733 |
Click to see
CC(=C)C1C(C2=C(O1)C=CC(=C2)C(=O)C)OC(=O)C(=CCOC(=O)C)C
|
358.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
(5-Acetyl-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-3-yl) 2-methylbut-2-enoate
|
169347 |
Click to see
CC=C(C)C(=O)OC1C(OC2=CC(=C(C=C12)C(=O)C)O)C(=C)C
|
316.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
(5-Acetyl-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-3-yl) 4-acetyloxy-2-methylbut-2-enoate
|
162999823 |
Click to see
CC(=C)C1C(C2=CC(=C(C=C2O1)O)C(=O)C)OC(=O)C(=CCOC(=O)C)C
|
374.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
[(2R,3S)-5-acetyl-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-3-yl] (Z)-2-methylbut-2-enoate
|
163190301 |
Click to see
CC=C(C)C(=O)OC1C(OC2=C1C=C(C=C2)C(=O)C)C(=C)C
|
300.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
[(2R,3S)-5-acetyl-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-3-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate
|
163188519 |
Click to see
CC(=C)C1C(C2=C(O1)C=CC(=C2)C(=O)C)OC(=O)C(=CCOC(=O)C)C
|
358.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
[(2R,3S)-5-acetyl-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-3-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate
|
163195327 |
Click to see
CC(=C)C1C(C2=CC(=C(C=C2O1)O)C(=O)C)OC(=O)C(=CCOC(=O)C)C
|
374.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
1-(3,6-Dihydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone
|
137704968 |
Click to see
CC(=C)C1C(C2=CC(=C(C=C2O1)O)C(=O)C)O
|
234.25 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
1-[(2R,3S)-3-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanone
|
163195129 |
Click to see
CC(=C)C1C(C2=C(O1)C=CC(=C2)C(=O)C)O
|
218.25 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
1-[(2S)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanone
|
12838730 |
Click to see
CC(=C)C1CC2=CC(=C(C=C2O1)O)C(=O)C
|
218.25 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
trans-2,3-Dihydro-3-hydroxyeuparin
|
124350709 |
Click to see
CC(=C)C1C(C2=CC(=C(C=C2O1)O)C(=O)C)O
|
234.25 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
> Hydrocarbons / Unsaturated hydrocarbons / Enynes
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1-Tridecene-3,5,7,9,11-pentayne
|
441552 |
Click to see
CC#CC#CC#CC#CC#CC=C
|
162.19 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,7-epoxylignans
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1-(3,4-Dimethoxyphenyl)-2-[4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-ol
|
11410271 |
Click to see
CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC(C)C(C4=CC(=C(C=C4)OC)OC)O)OC)C
|
552.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids / Methyl-branched fatty acids
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(Z)-4-acetyloxy-2-methylbut-2-enoic acid
|
19419923 |
Click to see
CC(=CCOC(=O)C)C(=O)O
|
158.15 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
4-Acetyloxy-2-methylbut-2-enoic acid
|
54337467 |
Click to see
CC(=CCOC(=O)C)C(=O)O
|
158.15 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
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7-Phenylhepta-2,4,6-triynyl acetate
|
11644243 |
Click to see
CC(=O)OCC#CC#CC#CC1=CC=CC=C1
|
222.24 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
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(5beta,9alpha,10alpha,13Z)-Labda-8(20),13-dien-15-oic acid
|
102574546 |
Click to see
CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCCC2(C)C)C
|
304.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
(E)-5-[(1R,4aR,8aR)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
|
14733517 |
Click to see
CC1=CCC2C(CCCC2(C1CCC(=CC(=O)O)C)C)(C)C
|
304.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
5-(2,5,5,8a-Tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-2-enoic acid
|
78131064 |
Click to see
CC1=CCC2C(CCCC2(C1CCC(=CC(=O)O)C)C)(C)C
|
304.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
Copalic acid
|
11162521 |
Click to see
CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCCC2(C)C)C
|
304.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Colensane and clerodane diterpenoids
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(Z)-5-[(1S,2R,4aR,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoic acid
|
25775468 |
Click to see
CC1CCC2(C(C1(C)CCC(=CC(=O)O)COC(=O)C)CCC=C2CO)C
|
378.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
3-(Acetyloxymethyl)-5-[5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]pent-2-enoic acid
|
162998226 |
Click to see
CC1CCC2(C(C1(C)CCC(=CC(=O)O)COC(=O)C)CCC=C2CO)C
|
378.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Kaurane diterpenoids
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(1S,4S,9R,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
|
162987985 |
Click to see
CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)(CO)O)C)C
|
306.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
14-(Hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
|
13816758 |
Click to see
CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)(CO)O)C)C
|
306.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
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(+)-beta-Caryophyllene
|
20831623 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-
|
23204 |
Click to see
CC1=CCC(C=CCC(=CCC1)C)(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
4-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)butan-2-one
|
11680515 |
Click to see
CC(=O)CCC1C(=C)CCC2C1(CCCC2(C)C)C
|
262.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
4-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]butan-2-one
|
15600017 |
Click to see
CC(=O)CCC1C(=C)CCC2C1(CCCC2(C)C)C
|
262.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)-
|
26318 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
Humulene
|
5281520 |
Click to see
CC1=CCC(C=CCC(=CCC1)C)(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
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(1E,3Z,5S,6E)-2-methyl-8-methylidene-5-propan-2-ylcyclodeca-1,3,6-triene
|
162997576 |
Click to see
CC1=CCCC(=C)C=CC(C=C1)C(C)C
|
202.33 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
(2Z,6Z)-3,7-dimethyl-10-(propan-2-yl)cyclodeca-2,6-dien-1-one
|
24976912 |
Click to see
CC1=CCCC(=CC(=O)C(CC1)C(C)C)C
|
220.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Triquinane sesquiterpenoids / Angular triquinanes
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(-)-Isocomene
|
11030948 |
Click to see
CC1CCC2(C13CCCC3(C=C2C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
(-)-Modhephene
|
11030947 |
Click to see
CC1CCC23C1(CCC2)C(=CC3(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
(1R,3aS,5aS,8aR)-1,3a,5a-Trimethyl-4-methylenedecahydrocyclopenta[c]pentalene
|
15119559 |
Click to see
CC1CCC2(C13CCCC3(CC2=C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
(1S,8aS)-Decahydro-1beta,3abeta,5aalpha-trimethyl-4-methylenecyclopenta[c]pentalene
|
101622047 |
Click to see
CC1CCC2(C13CCCC3(CC2=C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
1-Silfinene
|
10420471 |
Click to see
CC1CCC2C13C=CCC3(CC2(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
1H,4H-3a,6a-Propanopentalene, 5,6-dihydro-1,1,3,4-tetramethyl-, (3aR,4R,6aS)-
|
11790334 |
Click to see
CC1CCC23C1(CCC2)C(=CC3(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
5,7,7,11-Tetramethyltricyclo[6.3.0.01,5]undec-2-ene
|
13919645 |
Click to see
CC1CCC2C13C=CCC3(CC2(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
Berkheyaradulene
|
14034017 |
Click to see
CC1CCC2(C13CCCC3(C=C2C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
|
[(2S,3R,4S,5S,6R)-2-[[(1S,4aR,7R,7aR)-4-formyl-4a-hydroxy-7-methyl-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
101677404 |
Click to see
CC1CCC2(C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)O
|
506.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
|
(2Z,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(3R,4S)-3,4-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]-3-hydroxy-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
|
11505441 |
Click to see
CC1=C(C(CC(C1O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=CC(=O)C2(CC(CC2(C)C)O)C)O)C)C
|
616.90 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Azasteroids and derivatives
|
[17-(1-acetamidoethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
162922681 |
Click to see
CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)NC(=O)C
|
403.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
> Organoheterocyclic compounds / Benzofurans
|
Euparin
|
119039 |
Click to see
CC(=C)C1=CC2=CC(=C(C=C2O1)O)C(=O)C
|
216.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
> Organoheterocyclic compounds / Coumarans
|
(2R,3S)-5-[(1S)-1-hydroxyethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-3-ol
|
162887085 |
Click to see
CC(C1=CC2=C(C=C1)OC(C2O)C(=C)C)O
|
220.26 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
5-(1-Hydroxyethyl)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-3-ol
|
162887084 |
Click to see
CC(C1=CC2=C(C=C1)OC(C2O)C(=C)C)O
|
220.26 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
|
3-Methyl-2(5H)-furanone
|
30945 |
Click to see
CC1=CCOC1=O
|
98.10 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83966-7 |