> Benzenoids / Benzene and substituted derivatives / Acetophenones
|
1-[(2S)-6-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
|
163043753 |
Click to see
CC(=O)C1=C(C=C2C(=C1)CC(O2)C(C)(C)O)O
|
236.26 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
1-[6-Hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
|
163043752 |
Click to see
CC(=O)C1=C(C=C2C(=C1)CC(O2)C(C)(C)O)O
|
236.26 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
Ferruginol
|
442027 |
Click to see
CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)O
|
286.50 |
unknown |
via CMAUP database |
Sugiol
|
94162 |
Click to see
CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O
|
300.40 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
|
16-Hydroxy-10-(hydroxymethyl)-2,6,14-trimethylhexadeca-2,6,10,14-tetraen-4-one
|
162971286 |
Click to see
CC(=CC(=O)CC(=CCCC(=CCCC(=CCO)C)CO)C)C
|
320.50 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(10-Hydroxy-2,6,10-trimethyldodeca-2,6,8,11-tetraen-4-yl) 2-methylbut-2-enoate
|
163012868 |
Click to see
CC=C(C)C(=O)OC(CC(=CC=CC(C)(C=C)O)C)C=C(C)C
|
318.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
(3S)-2,2-dimethyl-3-[(3S)-3-[(1R)-4-methylidenecyclohex-2-en-1-yl]butyl]oxirane
|
162918214 |
Click to see
CC(CCC1C(O1)(C)C)C2CCC(=C)C=C2
|
220.35 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
[(4S,6E,8E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,8,11-tetraen-4-yl] (Z)-2-methylbut-2-enoate
|
163012870 |
Click to see
CC=C(C)C(=O)OC(CC(=CC=CC(C)(C=C)O)C)C=C(C)C
|
318.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
2,2-Dimethyl-3-[3-(4-methylidenecyclohex-2-en-1-yl)butyl]oxirane
|
162918213 |
Click to see
CC(CCC1C(O1)(C)C)C2CCC(=C)C=C2
|
220.35 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Bicyclogermacrane and isolepidozane sesquiterpenoids
|
[(1R,2S,4E,8E,10R)-4,8,11,11-tetramethyl-2-bicyclo[8.1.0]undeca-4,8-dienyl] (Z)-2-methylbut-2-enoate
|
163194085 |
Click to see
CC=C(C)C(=O)OC1CC(=CCCC(=CC2C1C2(C)C)C)C
|
302.50 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
|
CID 71694446
|
71694446 |
Click to see
CC1=CCCC2(C(O2)C(=O)C3=C(C1)OC=C3C)C
|
246.30 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
|
(5,9-Dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 2-methylbut-2-enoate
|
78410641 |
Click to see
CC=C(C)C(=O)OC1C2C(C=C(C(CC=C(C1O)C)O)C)OC(=O)C2=C
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
(9-Acetyloxy-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 2-methylbut-2-enoate
|
3795216 |
Click to see
CC=C(C)C(=O)OC1C2C(C=C(C(CC=C(C1O)C)OC(=O)C)C)OC(=O)C2=C
|
404.50 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
[(3aR,4S,5R,6E,9R,10E,11aR)-5,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
|
162929723 |
Click to see
CC=C(C)C(=O)OC1C2C(C=C(C(CC=C(C1O)C)O)C)OC(=O)C2=C
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
[(3aR,4S,5R,6E,9S,10E,11aR)-9-acetyloxy-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
|
162932307 |
Click to see
CC=C(C)C(=O)OC1C2C(C=C(C(CC=C(C1O)C)OC(=O)C)C)OC(=O)C2=C
|
404.50 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Guaianolides and derivatives
|
(4,7-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-5-yl) 2-(acetyloxymethyl)but-2-enoate
|
162972127 |
Click to see
CC=C(COC(=O)C)C(=O)OC1C(C2C(C3C(C1=C)C(C=C3C)O)OC(=O)C2=C)O
|
418.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
(5-acetyloxy-7-hydroxy-9-methyl-3-methylidene-2-oxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-6,2'-oxirane]-4-yl) 2-(acetyloxymethyl)but-2-enoate
|
162864903 |
Click to see
CC=C(COC(=O)C)C(=O)OC1C2C(C3C(C(C=C3C)O)C4(C1OC(=O)C)CO4)OC(=O)C2=C
|
476.50 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
(5,7-dihydroxy-9-methyl-3-methylidene-2-oxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-6,2'-oxirane]-4-yl) 2-(acetyloxymethyl)but-2-enoate
|
163081410 |
Click to see
CC=C(COC(=O)C)C(=O)OC1C2C(C3C(C(C=C3C)O)C4(C1O)CO4)OC(=O)C2=C
|
434.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
(5,7-dihydroxy-9-methyl-3-methylidene-2-oxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-6,2'-oxirane]-4-yl) 2-(hydroxymethyl)but-2-enoate
|
162851618 |
Click to see
CC=C(CO)C(=O)OC1C2C(C3C(C(C=C3C)O)C4(C1O)CO4)OC(=O)C2=C
|
392.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
(5,7-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 2-(acetyloxymethyl)but-2-enoate
|
162884955 |
Click to see
CC=C(COC(=O)C)C(=O)OC1C2C(C3C(C(C=C3C)O)C(=C)C1O)OC(=O)C2=C
|
418.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
(5,7-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 2-(hydroxymethyl)but-2-enoate
|
162952531 |
Click to see
CC=C(CO)C(=O)OC1C2C(C3C(C(C=C3C)O)C(=C)C1O)OC(=O)C2=C
|
376.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
[(3aR,4S,5R,6aR,7R,9aR,9bR)-4,7-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-5-yl] (E)-2-(acetyloxymethyl)but-2-enoate
|
162972128 |
Click to see
CC=C(COC(=O)C)C(=O)OC1C(C2C(C3C(C1=C)C(C=C3C)O)OC(=O)C2=C)O
|
418.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
[(3aR,4S,5S,6R,6aS,7R,9aR,9bR)-5-acetyloxy-7-hydroxy-9-methyl-3-methylidene-2-oxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-6,2'-oxirane]-4-yl] (E)-2-(acetyloxymethyl)but-2-enoate
|
162864904 |
Click to see
CC=C(COC(=O)C)C(=O)OC1C2C(C3C(C(C=C3C)O)C4(C1OC(=O)C)CO4)OC(=O)C2=C
|
476.50 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
[(3aR,4S,5S,6R,6aS,7R,9aR,9bR)-5,7-dihydroxy-9-methyl-3-methylidene-2-oxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-6,2'-oxirane]-4-yl] (E)-2-(acetyloxymethyl)but-2-enoate
|
163081411 |
Click to see
CC=C(COC(=O)C)C(=O)OC1C2C(C3C(C(C=C3C)O)C4(C1O)CO4)OC(=O)C2=C
|
434.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
[(3aR,4S,5S,6R,6aS,7R,9aR,9bR)-5,7-dihydroxy-9-methyl-3-methylidene-2-oxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-6,2'-oxirane]-4-yl] (E)-2-(hydroxymethyl)but-2-enoate
|
162851619 |
Click to see
CC=C(CO)C(=O)OC1C2C(C3C(C(C=C3C)O)C4(C1O)CO4)OC(=O)C2=C
|
392.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
[(3aS,4S,5R,6aR,7R,9aR,9bR)-5,7-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-(acetyloxymethyl)but-2-enoate
|
162884956 |
Click to see
CC=C(COC(=O)C)C(=O)OC1C2C(C3C(C(C=C3C)O)C(=C)C1O)OC(=O)C2=C
|
418.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
[(3aS,4S,5R,6aR,7R,9aR,9bR)-5,7-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-(hydroxymethyl)but-2-enoate
|
162952532 |
Click to see
CC=C(CO)C(=O)OC1C2C(C3C(C(C=C3C)O)C(=C)C1O)OC(=O)C2=C
|
376.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
3-O-Acetyloleanolic acid
|
151202 |
Click to see
CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)C)C
|
498.70 |
unknown |
via CMAUP database |
alpha-Amyrin
|
73170 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
|
426.70 |
unknown |
via CMAUP database |
Oleanolic Acid
|
10494 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
|
456.70 |
unknown |
via CMAUP database |
Ursolic Acid
|
64945 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O
|
456.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
(3S,8S,9S,10R,13R,14S,17S)-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-ol
|
122411793 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
via CMAUP database |
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
via CMAUP database |
Stigmast-4-en-3-one
|
5484202 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C
|
412.70 |
unknown |
via CMAUP database |
Stigmasterol
|
5280794 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzofurans
|
5-Acetyl-2-(1-hydroxy-1-methylethyl)benzofuran
|
12629821 |
Click to see
CC(=O)C1=CC2=C(C=C1)OC(=C2)C(C)(C)O
|
218.25 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / 2,2-dimethyl-1-benzopyrans
|
6-Acetyl-2,2-Dimethylchroman-4-One
|
10398468 |
Click to see
CC(=O)C1=CC2=C(C=C1)OC(CC2=O)(C)C
|
218.25 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
|
5-hydroxy-3,6,7-trimethoxy-2-[3-methoxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
162935288 |
Click to see
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC4C(C(C(C(O4)CO)O)O)O
|
536.50 |
unknown |
https://doi.org/10.1016/0031-9422(81)84028-9 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
Salvigenin
|
161271 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
|
328.30 |
unknown |
via CMAUP database |