> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / p-Hydroxybenzoic acid esters / p-Hydroxybenzoic acid alkyl esters
|
Methylparaben
|
7456 |
Click to see
COC(=O)C1=CC=C(C=C1)O
|
152.15 |
unknown |
via CMAUP database |
> Benzenoids / Phenanthrenes and derivatives / Phenanthrols
|
6,15-Dihydroxy-5,14-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
|
162895464 |
Click to see
COC1=C(C2=CC3=C4C(=CC(=C(C4=C2C=C1)O)OC)C(=O)N3)O
|
311.29 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
[(E,2R)-4-[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]but-3-en-2-yl] acetate
|
93483123 |
Click to see
CC1=CC(=O)CC(C1C=CC(C)OC(=O)C)(C)C
|
250.33 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R |
4-[3-(Acetyloxy)-1-buten-1-yl]-3,5,5-trimethyl-2-cyclohexen-1-one
|
3019951 |
Click to see
CC1=CC(=O)CC(C1C=CC(C)OC(=O)C)(C)C
|
250.33 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
|
(1S,4aS,7S,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,8,8a-hexahydro-2H-naphthalene-1,7-diol
|
162943484 |
Click to see
CC(=C)C1(CCC2(CCCC(C2C1)(C)O)C)O
|
238.37 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
(4aR,6R,8aR)-6-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-4a,5,7,8-tetrahydro-1H-naphthalen-2-one
|
162961713 |
Click to see
CC1=CC(=O)CC2(C1CC(CC2)(C(=C)C)O)C
|
234.33 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
(4aR,6S,8aR)-6-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-4a,5,7,8-tetrahydro-1H-naphthalen-2-one
|
162961712 |
Click to see
CC1=CC(=O)CC2(C1CC(CC2)(C(=C)C)O)C
|
234.33 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R |
1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,8,8a-hexahydro-2H-naphthalene-1,7-diol
|
162943481 |
Click to see
CC(=C)C1(CCC2(CCCC(C2C1)(C)O)C)O
|
238.37 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
6-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-4a,5,7,8-tetrahydro-1H-naphthalen-2-one
|
76535891 |
Click to see
CC1=CC(=O)CC2(C1CC(CC2)(C(=C)C)O)C
|
234.33 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R https://doi.org/10.1016/S0031-9422(00)90719-2 |
Teucrenone
|
10105443 |
Click to see
CC1=CC(=O)CC2(C1CC(CC2)(C(=C)C)O)C
|
234.33 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
|
Epitaraxerol
|
344467 |
Click to see
CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
Taraxerol
|
92097 |
Click to see
CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
alpha-Amyrin
|
73170 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
Beta-Amyrin
|
73145 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
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 |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
Squalene
|
638072 |
Click to see
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
|
410.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
Super Squalene; trans-Squalene;AddaVax
|
1105 |
Click to see
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
|
410.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
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 |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids
|
(1S,2S,5S,6R,9S,10R,15S)-5-(5,6-dimethylhept-3-en-2-yl)-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol
|
129316892 |
Click to see
CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C
|
428.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
Ergosterol peroxide
|
5351516 |
Click to see
CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C
|
428.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
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/10.1016/S0031-9422(00)90719-2 |
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/10.1016/S0031-9422(00)90719-2 |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
|
(4aS,8S,8aR)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one
|
101611687 |
Click to see
CC12CCCC(C1CC(=O)CC2)(C)O
|
196.29 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R |
(4aS,8S)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one
|
15715104 |
Click to see
CC12CCCC(C1CC(=O)CC2)(C)O
|
196.29 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R |
1-(4,8-Dihydroxy-4a,8-dimethyl-1,4,5,6,7,8a-hexahydronaphthalen-2-yl)ethanone
|
162892364 |
Click to see
CC(=O)C1=CC(C2(CCCC(C2C1)(C)O)C)O
|
238.32 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R |
1-(8-Hydroxy-4a,8-dimethyl-1,4,5,6,7,8a-hexahydronaphthalen-2-yl)ethanone
|
73096660 |
Click to see
CC(=O)C1=CCC2(CCCC(C2C1)(C)O)C
|
222.32 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R |
1-[(4aS,8S,8aR)-8-hydroxy-4a,8-dimethyl-1,4,5,6,7,8a-hexahydronaphthalen-2-yl]ethanone
|
162845374 |
Click to see
CC(=O)C1=CCC2(CCCC(C2C1)(C)O)C
|
222.32 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R |
1-[(4aS,8S)-8-hydroxy-4a,8-dimethyl-1,4,5,6,7,8a-hexahydronaphthalen-2-yl]ethanone
|
15767780 |
Click to see
CC(=O)C1=CCC2(CCCC(C2C1)(C)O)C
|
222.32 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R |
1-[(4S,4aR,8S,8aR)-4,8-dihydroxy-4a,8-dimethyl-1,4,5,6,7,8a-hexahydronaphthalen-2-yl]ethanone
|
162892365 |
Click to see
CC(=O)C1=CC(C2(CCCC(C2C1)(C)O)C)O
|
238.32 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R |
8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one
|
4075202 |
Click to see
CC12CCCC(C1CC(=O)CC2)(C)O
|
196.29 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
|
alpha-D-(+)-Talose
|
7157007 |
Click to see
C(C1C(C(C(C(O1)O)O)O)O)O
|
180.16 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
|
(4aR,5S,8aR)-3-acetyl-5-hydroxy-5,8a-dimethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-one
|
163194404 |
Click to see
CC(=O)C1=CC(=O)C2(CCCC(C2C1)(C)O)C
|
236.31 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R |
(4aS,8S,8aR)-8-hydroxy-4a,8-dimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
|
101413626 |
Click to see
CC12CCCC(C1CC(=O)C=C2)(C)O
|
194.27 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R |
(5S,8aR)-3-acetyl-5-hydroxy-5,8a-dimethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-one
|
15767782 |
Click to see
CC(=O)C1=CC(=O)C2(CCCC(C2C1)(C)O)C
|
236.31 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R |
3-acetyl-5-hydroxy-5,8a-dimethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-one
|
162842893 |
Click to see
CC(=O)C1=CC(=O)C2(CCCC(C2C1)(C)O)C
|
236.31 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R |
8-hydroxy-4a,8-dimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one
|
72746331 |
Click to see
CC12CCCC(C1=CC(=O)CC2)(C)O
|
194.27 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R |
8-hydroxy-4a,8-dimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
|
162879866 |
Click to see
CC12CCCC(C1CC(=O)C=C2)(C)O
|
194.27 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R |
Teuhetenone A
|
15153216 |
Click to see
CC12CCCC(C1=CC(=O)CC2)(C)O
|
194.27 |
unknown |
https://doi.org/10.1016/0031-9422(94)00947-R |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Coumaric acid esters
|
2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester
|
92203 |
Click to see
COC(=O)C=CC1=CC=C(C=C1)O
|
178.18 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
|
(2S,2'R,3S,3'R,4S)-3,3',4,4'-Tetrahydro-2beta,2'alpha-bis(3,4-dihydroxyphenyl)-4alpha,8'-bi[2H-1-benzopyran]-3beta,3'alpha,5,5',7,7'-hexol
|
13269091 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
|
578.50 |
unknown |
via CMAUP database |
(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol
|
442677 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
|
578.50 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
Isoquercetin
|
5280804 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
|
464.40 |
unknown |
via CMAUP database |
isorhamnetin 3-O-glucoside
|
5318645 |
Click to see
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
|
478.40 |
unknown |
via CMAUP database |
Narcissin
|
5481663 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O
|
624.50 |
unknown |
via CMAUP database |
Rutin
|
5280805 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
|
610.50 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
|
Tricin 7-glucoside
|
5322022 |
Click to see
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O
|
492.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
|
Tricin
|
5281702 |
Click to see
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
|
330.29 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 4-O-methylated flavonoids
|
5-Hydroxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
|
13302209 |
Click to see
COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C=CC=C3O2)O
|
328.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
5,7-Dihydroxy-3',4',5'-trimethoxyflavone
|
5379265 |
Click to see
COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
|
344.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
Apigenin 7,4'-dimethyl ether
|
5281601 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O
|
298.29 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
Cirsimaritin
|
188323 |
Click to see
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC
|
314.29 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90719-2 |
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 |
https://doi.org/10.1016/S0031-9422(00)90719-2 |