> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
|
Lachnophyllum ester
|
642290 |
Click to see
CCCC#CC#CC=CC(=O)OC
|
176.21 |
unknown |
https://doi.org/10.1016/0031-9422(95)00780-6 https://doi.org/10.1021/NP50045A025 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Colensane and clerodane diterpenoids
|
(Z)-2-[2-[4a,5-bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]but-2-ene-1,4-diol
|
5387577 |
Click to see
CC1CCC2(C(C1(C)CCC(=CCO)CO)CCC=C2CO)CO
|
338.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00780-6 |
2-[2-[4a,5-Bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]but-2-ene-1,4-diol
|
361690 |
Click to see
CC1CCC2(C(C1(C)CCC(=CCO)CO)CCC=C2CO)CO
|
338.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00780-6 |
Jewenol A
|
14137512 |
Click to see
CC1CCC2(C(C1(C)CCC(=CCO)CO)CCC=C2CO)CO
|
338.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00780-6 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Iridoids and derivatives
|
(1R,2R,3aR,8aS)-1-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-1-(hydroxymethyl)-2,3a-dimethyl-2,3,4,7,8,8a-hexahydroazulene-5-carboxylic acid
|
15818202 |
Click to see
CC1CC2(CC(=CCCC2C1(CCC(=CCO)CO)CO)C(=O)O)C
|
352.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00780-6 |
(1S,2S,3aS,8aR)-1-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-1-(hydroxymethyl)-2,3a-dimethyl-2,3,4,7,8,8a-hexahydroazulene-5-carboxylic acid
|
162987450 |
Click to see
CC1CC2(CC(=CCCC2C1(CCC(=CCO)CO)CO)C(=O)O)C
|
352.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00780-6 |
1-[5-Hydroxy-3-(hydroxymethyl)pent-3-enyl]-1-(hydroxymethyl)-2,3a-dimethyl-2,3,4,7,8,8a-hexahydroazulene-5-carboxylic acid
|
162987449 |
Click to see
CC1CC2(CC(=CCCC2C1(CCC(=CCO)CO)CO)C(=O)O)C
|
352.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00780-6 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
(1R,2S,4R)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
|
12653915 |
Click to see
CC(=C)C1CCC(C(C1)O)(C)O
|
170.25 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-
|
94217 |
Click to see
CC(=C)C1CCC(C(C1)O)(C)O
|
170.25 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
Limonene, (-)-
|
439250 |
Click to see
CC1=CCC(CC1)C(=C)C
|
136.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
|
(1aS,4aS,7S,7aR,7bS)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol
|
97032059 |
Click to see
CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C
|
220.35 |
unknown |
https://doi.org/10.1021/NP50045A025 https://doi.org/10.1016/0305-1978(91)90113-E |
(7aR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol
|
5321422 |
Click to see
CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C
|
220.35 |
unknown |
https://doi.org/10.1021/NP50045A025 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones
|
(6aR,7S,8R)-7-[2-(2-ethenyloxiran-2-yl)ethyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one
|
101690647 |
Click to see
CC1CCC23COC(=O)C2=CCCC3C1(C)CCC4(CO4)C=C
|
316.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00780-6 |
(6aS,7R,8S,10aR)-7-[2-[(2S)-2-ethenyloxiran-2-yl]ethyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one
|
162870516 |
Click to see
CC1CCC23COC(=O)C2=CCCC3C1(C)CCC4(CO4)C=C
|
316.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00780-6 |
(E)-2-[2-[(6aR,7S,8R,10aS)-7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl]ethyl]but-2-enal
|
162960488 |
Click to see
CC=C(CCC1(C(CCC23C1CCC=C2C(=O)OC3)C)C)C=O
|
316.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00780-6 |
(Z)-2-[2-[(6aR,7S,8R)-7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl]ethyl]but-2-enal
|
101690646 |
Click to see
CC=C(CCC1(C(CCC23C1CCC=C2C(=O)OC3)C)C)C=O
|
316.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00780-6 |
18-Deoxy-portulide
|
15818204 |
Click to see
CC1CCC23COC(=O)C2=CCCC3C1(C)CCC(=CCO)CO
|
334.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00780-6 |
2-[2-(7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl)ethyl]but-2-enal
|
162960487 |
Click to see
CC=C(CCC1(C(CCC23C1CCC=C2C(=O)OC3)C)C)C=O
|
316.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00780-6 |
7-[2-(2-ethenyloxiran-2-yl)ethyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one
|
162870514 |
Click to see
CC1CCC23COC(=O)C2=CCCC3C1(C)CCC4(CO4)C=C
|
316.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00780-6 |
7-[5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one
|
362041 |
Click to see
CC1CCC23COC(=O)C2=CCCC3C1(C)CCC(=CCO)CO
|
334.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00780-6 |
Portulide B
|
5387649 |
Click to see
CC1CCC23COC(=O)C2=CCCC3C1(C)CCC(=CCO)CO
|
334.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00780-6 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
3-Epioleanolic acid
|
11869658 |
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/10.1016/0031-9422(93)85094-8 |
3-Hydroxyolean-12-en-28-oic acid
|
619166 |
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/10.1016/0031-9422(93)85094-8 |
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/10.1021/NP50045A025 |
Erythrodiol
|
101761 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)CO)C
|
442.70 |
unknown |
https://doi.org/10.1021/NP50045A025 |
Maslinic Acid
|
73659 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C
|
472.70 |
unknown |
https://doi.org/10.1016/0031-9422(95)00780-6 |
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/10.1016/0031-9422(93)85094-8 https://doi.org/10.1016/0031-9422(95)00780-6 https://doi.org/10.1016/0305-1978(91)90113-E |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / 2,2-dimethyl-1-benzopyrans
|
(alphaE)-2,2-Dimethyl-2H-1-benzopyran-6-acrylic acid methyl ester
|
14463875 |
Click to see
CC1(C=CC2=C(O1)C=CC(=C2)C=CC(=O)OC)C
|
244.28 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
1-(2,2-Dimethylchromen-6-yl)ethanone
|
177040 |
Click to see
CC(=O)C1=CC2=C(C=C1)OC(C=C2)(C)C
|
202.25 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
2-Propenoic acid, 3-(2,2-dimethyl-2H-1-benzopyran-6-yl)-
|
10513634 |
Click to see
CC1(C=CC2=C(O1)C=CC(=C2)C=CC(=O)O)C
|
230.26 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
2,2-Dimethyl-6-carboxyethenyl-2h-1-benzopyran
|
53916933 |
Click to see
CC1(C=CC2=C(O1)C=CC(=C2)C=CC(=O)O)C
|
230.26 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-2-propene-1-ol
|
10398415 |
Click to see
CC1(C=CC2=C(O1)C=CC(=C2)C=CCO)C
|
216.27 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
3-(2,2-Dimethylchromen-6-yl)prop-2-en-1-ol
|
85132378 |
Click to see
CC1(C=CC2=C(O1)C=CC(=C2)C=CCO)C
|
216.27 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
Methyl 3-(2,2-dimethylchromen-6-yl)prop-2-enoate
|
72731758 |
Click to see
CC1(C=CC2=C(O1)C=CC(=C2)C=CC(=O)OC)C
|
244.28 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
> Organoheterocyclic compounds / Coumarans
|
methyl (E)-3-[(2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate
|
163190968 |
Click to see
CC(=C)C1CC2=C(O1)C=CC(=C2)C=CC(=O)OC
|
244.28 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
Methyl 3-(2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
|
163032977 |
Click to see
CC(=C)C1CC2=C(O1)C=CC(=C2)C=CC(=O)OC
|
244.28 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
|
(E)-3-[3-methoxy-4-(3-oxohexoxy)phenyl]prop-2-enoic acid
|
10379571 |
Click to see
CCCC(=O)CCOC1=C(C=C(C=C1)C=CC(=O)O)OC
|
292.33 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
3-[3-Methoxy-4-(3-oxohexoxy)phenyl]prop-2-enoic acid
|
85126891 |
Click to see
CCCC(=O)CCOC1=C(C=C(C=C1)C=CC(=O)O)OC
|
292.33 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Coumaric acid esters
|
Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate
|
126304 |
Click to see
CC(=CCC1=C(C=CC(=C1)C=CC(=O)OC)O)C
|
246.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
Plicatin B
|
6438704 |
Click to see
CC(=CCC1=C(C=CC(=C1)C=CC(=O)OC)O)C
|
246.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
|
(E)-3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
|
10106055 |
Click to see
CC(=CCC1=C(C=CC(=C1O)C=CC(=O)O)O)C
|
248.27 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
(E)-3-[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
|
10015564 |
Click to see
CC(=CCC1=C(C(=CC(=C1)C=CC(=O)O)OC)O)C
|
262.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
3-(4-Hydroxy-3-methoxy-5-prenylphenyl)-2-propenoic acid
|
85093346 |
Click to see
CC(=CCC1=C(C(=CC(=C1)C=CC(=O)O)OC)O)C
|
262.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
3-[2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenoic acid
|
129686660 |
Click to see
CC(=CCC1=C(C=CC(=C1O)C=CC(=O)O)O)C
|
248.27 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
Ferulic acid
|
445858 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)O)O
|
194.18 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90664-2 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
|
3-Methoxyluteolin
|
5280681 |
Click to see
COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
|
316.26 |
unknown |
https://doi.org/10.1016/0305-1978(91)90113-E https://doi.org/10.1016/0031-9422(95)00780-6 |
Isokaempferide
|
5280862 |
Click to see
COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
|
300.26 |
unknown |
https://doi.org/10.1016/0305-1978(91)90113-E |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 6-O-methylated flavonoids
|
Axillarin
|
5281603 |
Click to see
COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O
|
346.30 |
unknown |
https://doi.org/10.1021/NP50045A025 |
Eupafolin
|
5317284 |
Click to see
COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O
|
316.26 |
unknown |
https://doi.org/10.1016/0031-9422(95)00780-6 |