> Lignans, neolignans and related compounds / Aryltetralin lignans
|
(6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
|
101145057 |
Click to see
CC1CC2=CC(=C(C=C2C(C1C)C3=CC(=C(C=C3)O)OC)O)OC
|
328.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00477-5 |
8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
|
14681584 |
Click to see
CC1CC2=CC(=C(C=C2C(C1C)C3=CC(=C(C=C3)O)OC)O)OC
|
328.40 |
unknown |
https://doi.org/10.1021/JF063451X https://doi.org/10.1016/S0031-9422(00)00477-5 |
Guaiacin
|
11724027 |
Click to see
CC1CC2=CC(=C(C=C2C(C1C)C3=CC(=C(C=C3)O)OC)O)OC
|
328.40 |
unknown |
https://doi.org/10.1021/JF063451X https://doi.org/10.1016/S0031-9422(00)00477-5 |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,7-epoxylignans
|
4-[(2S,3R,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
|
58507652 |
Click to see
CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C
|
344.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00477-5 |
4-[(3R,4S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
|
5320041 |
Click to see
CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C
|
344.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00477-5 |
Malabaricano
|
13870570 |
Click to see
CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C
|
344.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00477-5 |
nectandrin-B
|
156517 |
Click to see
CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C
|
344.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00477-5 |
Verrucosin
|
10736226 |
Click to see
CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C
|
344.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00477-5 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
15-(1,3-Benzodioxol-5-yl)pentadecanoic acid
|
10832498 |
Click to see
C1OC2=C(O1)C=C(C=C2)CCCCCCCCCCCCCCC(=O)O
|
362.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00477-5 |
17-(1,3-Benzodioxol-5-yl)heptadecanoic acid
|
10763001 |
Click to see
C1OC2=C(O1)C=C(C=C2)CCCCCCCCCCCCCCCCC(=O)O
|
390.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00477-5 https://doi.org/10.1021/JF063451X |
19-(1,3-Benzodioxol-5-yl)nonadecanoic acid
|
10606655 |
Click to see
C1OC2=C(O1)C=C(C=C2)CCCCCCCCCCCCCCCCCCC(=O)O
|
418.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00477-5 https://doi.org/10.1021/JF063451X |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
|
21-(1,3-Benzodioxol-5-yl)henicosanoic acid
|
102074921 |
Click to see
C1OC2=C(O1)C=C(C=C2)CCCCCCCCCCCCCCCCCCCCC(=O)O
|
446.70 |
unknown |
https://doi.org/10.1021/JF063451X |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Annonaceous acetogenins
|
(2S)-4-[(Z)-19-(1,3-benzodioxol-5-yl)nonadec-7-enyl]-2-methyl-2H-furan-5-one
|
101663491 |
Click to see
CC1C=C(C(=O)O1)CCCCCCC=CCCCCCCCCCCCC2=CC3=C(C=C2)OCO3
|
482.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)86967-8 |
4-[19-(1,3-benzodioxol-5-yl)nonadec-7-enyl]-2-methyl-2H-furan-5-one
|
162941499 |
Click to see
CC1C=C(C(=O)O1)CCCCCCC=CCCCCCCCCCCCC2=CC3=C(C=C2)OCO3
|
482.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)86967-8 |
> Lipids and lipid-like molecules / Glycerolipids / Glycosylglycerols / 3-O-beta-D-digalactosyl-sn-glycerols
|
[(2S)-1-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
|
102031333 |
Click to see
CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)OC(=O)CCCCCCCCCCCCCCC)O)O)O)O)OC(=O)CCCCCCCC=CCC=CCCCCC
|
1155.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00477-5 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
(2E,6E,10E)-6,10-dimethyl-12-(5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid
|
101145056 |
Click to see
CC1=CC(=O)C=C(C1=O)CC=C(C)CCC=C(C)CCC=C(CCC=C(C)C)C(=O)O
|
424.60 |
unknown |
https://doi.org/10.1021/JF063451X https://doi.org/10.1016/S0031-9422(00)00477-5 |
(2Z,6E,10E)-12-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid
|
10606660 |
Click to see
CC1=C(C(=O)C(=CC1=O)CC=C(C)CCC=C(C)CCC=C(CCC=C(C)C)C(=O)O)C
|
438.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00477-5 |
(2Z,6E,10E)-6,10-dimethyl-12-(5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid
|
9802458 |
Click to see
CC1=CC(=O)C=C(C1=O)CC=C(C)CCC=C(C)CCC=C(CCC=C(C)C)C(=O)O
|
424.60 |
unknown |
https://doi.org/10.1021/JF063451X https://doi.org/10.1016/S0031-9422(00)00477-5 |
12-(4,5-Dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid
|
85203867 |
Click to see
CC1=C(C(=O)C(=CC1=O)CC=C(C)CCC=C(C)CCC=C(CCC=C(C)C)C(=O)O)C
|
438.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00477-5 |
6,10-Dimethyl-12-(5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid
|
85041109 |
Click to see
CC1=CC(=O)C=C(C1=O)CC=C(C)CCC=C(C)CCC=C(CCC=C(C)C)C(=O)O
|
424.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00477-5 https://doi.org/10.1021/JF063451X |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
|
(2Z,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid
|
16125348 |
Click to see
CC(=CCCC(=CCCC(=CCCC(=O)C)C)C(=O)O)C
|
292.40 |
unknown |
https://doi.org/10.1021/JF063451X |
6-Methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid
|
162924420 |
Click to see
CC(=CCCC(=CCCC(=CCCC(=O)C)C)C(=O)O)C
|
292.40 |
unknown |
https://doi.org/10.1021/JF063451X |
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin E compounds / Tocotrienols
|
(2E,6E)-9-[(2S)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid
|
163188824 |
Click to see
CC1=CC(=CC2=C1OC(CC2)(C)CCC=C(C)CCC=C(CCC=C(C)C)C(=O)O)O
|
426.60 |
unknown |
https://doi.org/10.1021/JF063451X |
(2Z,6E)-9-[(2S)-6-hydroxy-2,7,8-trimethylchromen-2-yl]-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid
|
163187460 |
Click to see
CC1=C(C=C2C=CC(OC2=C1C)(C)CCC=C(C)CCC=C(CCC=C(C)C)C(=O)O)O
|
438.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00477-5 |
(R)-Sargachromenol
|
51003424 |
Click to see
CC1=CC(=CC2=C1OC(C=C2)(C)CCC=C(C)CCC=C(CCC=C(C)C)C(=O)O)O
|
424.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00477-5 |
9-(6-Hydroxy-2,7,8-trimethylchromen-2-yl)-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid
|
78201235 |
Click to see
CC1=C(C=C2C=CC(OC2=C1C)(C)CCC=C(C)CCC=C(CCC=C(C)C)C(=O)O)O
|
438.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00477-5 |
9-(6-Hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid
|
90830796 |
Click to see
CC1=CC(=CC2=C1OC(CC2)(C)CCC=C(C)CCC=C(CCC=C(C)C)C(=O)O)O
|
426.60 |
unknown |
https://doi.org/10.1021/JF063451X |
9-(6-Hydroxy-2,8-dimethylchromen-2-yl)-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid
|
75599899 |
Click to see
CC1=CC(=CC2=C1OC(C=C2)(C)CCC=C(C)CCC=C(CCC=C(C)C)C(=O)O)O
|
424.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00477-5 |
Sargachromenol
|
10455044 |
Click to see
CC1=CC(=CC2=C1OC(C=C2)(C)CCC=C(C)CCC=C(CCC=C(C)C)C(=O)O)O
|
424.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)00477-5 https://doi.org/10.1021/JF063451X |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
29-Hydroxyfriedelan-3-one
|
14108943 |
Click to see
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)CO)C)C)C)C)C
|
442.70 |
unknown |
via CMAUP database |
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 |
via CMAUP database |
Friedelin
|
91472 |
Click to see
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C
|
426.70 |
unknown |
via CMAUP database |
Hennadiol
|
489919 |
Click to see
CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC5(C4C(CC5)C(=C)CO)C)C)C)C
|
442.70 |
unknown |
via CMAUP database |
Octandronic acid
|
14108946 |
Click to see
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)C
|
456.70 |
unknown |
via CMAUP database |
Octandronol
|
14108942 |
Click to see
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)CO)C)C)C)C)C
|
442.70 |
unknown |
via CMAUP database |
Pristimerin
|
159516 |
Click to see
CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C)O
|
464.60 |
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
|
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 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
|
(6aS,6bS,8aS,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-8,9,12,12a,13,14-hexahydro-7H-picen-2-one
|
46881919 |
Click to see
CC1=CCC2(CCC3(C4=CC=C5C(=C(C(=O)C=C5C4(CCC3(C2C1)C)C)O)C)C)C
|
404.60 |
unknown |
via CMAUP database |
Tingenone
|
101520 |
Click to see
CC1CC2C(CCC3(C2(CCC4(C3=CC=C5C4=CC(=O)C(=C5C)O)C)C)C)(CC1=O)C
|
420.60 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzodioxoles
|
(3R,5R)-5-[16-(1,3-benzodioxol-5-yl)hexadecyl]-3-hydroxyoxolan-2-one
|
163021395 |
Click to see
C1C(OC(=O)C1O)CCCCCCCCCCCCCCCCC2=CC3=C(C=C2)OCO3
|
446.60 |
unknown |
https://doi.org/10.1016/0031-9422(75)85143-0 |
(3S,4R,5S)-3-[19-(1,3-benzodioxol-5-yl)nonadecyl]-4-hydroxy-5-methyloxolan-2-one
|
101967147 |
Click to see
CC1C(C(C(=O)O1)CCCCCCCCCCCCCCCCCCCC2=CC3=C(C=C2)OCO3)O
|
502.70 |
unknown |
https://doi.org/10.1016/0031-9422(75)85143-0 |
3-[19-(1,3-Benzodioxol-5-yl)nonadecyl]-4-hydroxy-5-methyloxolan-2-one
|
163077041 |
Click to see
CC1C(C(C(=O)O1)CCCCCCCCCCCCCCCCCCCC2=CC3=C(C=C2)OCO3)O
|
502.70 |
unknown |
https://doi.org/10.1016/0031-9422(75)85143-0 |
5-[16-(1,3-Benzodioxol-5-yl)hexadecyl]-3-hydroxyoxolan-2-one
|
163021394 |
Click to see
C1C(OC(=O)C1O)CCCCCCCCCCCCCCCCC2=CC3=C(C=C2)OCO3
|
446.60 |
unknown |
https://doi.org/10.1016/0031-9422(75)85143-0 |
> Phenylpropanoids and polyketides / Flavonoids / Flavones
|
4',7-Dihydroxyflavone
|
5282073 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O
|
254.24 |
unknown |
https://doi.org/10.1021/JF063451X |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 4-O-methylated flavonoids
|
Farnisin
|
5378220 |
Click to see
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O)O
|
284.26 |
unknown |
https://doi.org/10.1021/JF063451X |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
6-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)-1,3-benzodioxol-5-ol
|
74977219 |
Click to see
COC1=CC2=C(CCC(O2)C3=CC4=C(C=C3O)OCO4)C=C1
|
300.30 |
unknown |
https://doi.org/10.1016/0031-9422(74)80351-1 https://doi.org/10.1016/0031-9422(75)85143-0 |
7,3',4'-Trimethoxyflavone
|
154227 |
Click to see
COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)OC)OC
|
312.30 |
unknown |
https://doi.org/10.1021/JF063451X |
7,4'-Dimethoxyflavone
|
466269 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OC
|
282.29 |
unknown |
https://doi.org/10.1021/JF063451X |
Tithonine
|
10379917 |
Click to see
COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)OC)O
|
298.29 |
unknown |
https://doi.org/10.1021/JF063451X |