> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids
|
Benzoic Acid
|
243 |
Click to see
C1=CC=C(C=C1)C(=O)O
|
122.12 |
unknown |
via CMAUP database |
> Lignans, neolignans and related compounds / Furanoid lignans
|
4-[(3aS,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
|
137705081 |
Click to see
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
Pinoresinol
|
73399 |
Click to see
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
|
(R)-nonacosan-10-ol
|
342803 |
Click to see
CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)O
|
424.80 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
(2S,4aR,4bS,7R,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-ol
|
22216597 |
Click to see
CC1(C2CCC3=CC(CCC3C2(CCC1O)C)(C)C=C)C
|
288.50 |
unknown |
via CMAUP database |
(4aS,8aS)-3,4a,8,8-tetramethyl-4-[(3R)-3-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypent-4-enyl]-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
|
162940885 |
Click to see
CC1=C(C2(CCCC(C2CC1=O)(C)C)C)CCC(C)(C=C)OC3C(C(C(CO3)O)O)O
|
436.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(6-ethenyl-6-methyl-3-methylidene-2-oxo-7-prop-1-en-2-yl-4,5,7,7a-tetrahydro-3aH-1-benzofuran-4-yl) acetate
|
299921 |
Click to see
CC(=C)C1C2C(C(CC1(C)C=C)OC(=O)C)C(=C)C(=O)O2
|
290.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
[(3aR,4S,6S,7S,7aR)-6-ethenyl-6-methyl-3-methylidene-2-oxo-7-prop-1-en-2-yl-4,5,7,7a-tetrahydro-3aH-1-benzofuran-4-yl] acetate
|
14191253 |
Click to see
CC(=C)C1C2C(C(CC1(C)C=C)OC(=O)C)C(=C)C(=O)O2
|
290.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
3-Acetoxy-8(17),13E-labdadien-15-oic acid
|
13858192 |
Click to see
CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCC(C2(C)C)OC(=O)C)C
|
362.50 |
unknown |
via CMAUP database |
3-Oxoanticopalic Acid
|
13858184 |
Click to see
CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCC(=O)C2(C)C)C
|
318.40 |
unknown |
via CMAUP database |
Abietic acid
|
10569 |
Click to see
CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C
|
302.50 |
unknown |
via CMAUP database |
Alepterolic acid
|
13858188 |
Click to see
CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCC(C2(C)C)O)C
|
320.50 |
unknown |
via CMAUP database |
Dehydroabietic acid
|
94391 |
Click to see
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C
|
300.40 |
unknown |
via CMAUP database |
Levopimaric acid
|
221062 |
Click to see
CC(C)C1=CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C
|
302.50 |
unknown |
via CMAUP database |
Neoabietic acid
|
221118 |
Click to see
CC(=C1CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C
|
302.50 |
unknown |
via CMAUP database |
Sandaracopimaradienediol
|
12313649 |
Click to see
CC1(CCC2C(=C1)CCC3C2(CCC(C3(C)CO)O)C)C=C
|
304.50 |
unknown |
via CMAUP database |
Sandaracopimaric acid
|
221580 |
Click to see
CC1(CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C=C
|
302.50 |
unknown |
via CMAUP database |
Sandaracopimarinol
|
12314286 |
Click to see
CC1(CCC2C(=C1)CCC3C2(CCCC3(C)CO)C)C=C
|
288.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
Linalool, (+)-
|
67179 |
Click to see
CC(=CCCC(C)(C=C)O)C
|
154.25 |
unknown |
via CMAUP database |
Myrcene
|
31253 |
Click to see
CC(=CCCC(=C)C=C)C
|
136.23 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
|
p-CYMENE
|
7463 |
Click to see
CC1=CC=C(C=C1)C(C)C
|
134.22 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
(-)-beta-Pinene
|
440967 |
Click to see
CC1(C2CCC(=C)C1C2)C
|
136.23 |
unknown |
via CMAUP database |
(+)-alpha-Pinene
|
82227 |
Click to see
CC1=CCC2CC1C2(C)C
|
136.23 |
unknown |
via CMAUP database |
(1R,3R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane
|
98052623 |
Click to see
CC1CCC2C(C1)C2(C)C
|
138.25 |
unknown |
via CMAUP database |
Bicyclo[2.2.1]heptane, 1,3,3-trimethyl-, (1S,4R)-
|
10877186 |
Click to see
CC1(CC2(CCC1C2)C)C
|
138.25 |
unknown |
via CMAUP database |
Borneol
|
6552009 |
Click to see
CC1(C2CCC1(C(C2)O)C)C
|
154.25 |
unknown |
via CMAUP database |
Bornyl acetate, (-)-
|
93009 |
Click to see
CC(=O)OC1CC2CCC1(C2(C)C)C
|
196.29 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
(+)-beta-Phellandrene
|
442484 |
Click to see
CC(C)C1CCC(=C)C=C1
|
136.23 |
unknown |
via CMAUP database |
(+)-Terpinen-4-ol
|
2724161 |
Click to see
CC1=CCC(CC1)(C(C)C)O
|
154.25 |
unknown |
via CMAUP database |
4-Methylidene-1-propan-2-ylcyclohexan-1-ol
|
10197791 |
Click to see
CC(C)C1(CCC(=C)CC1)O
|
154.25 |
unknown |
via CMAUP database |
Limonene, (+)-
|
440917 |
Click to see
CC1=CCC(CC1)C(=C)C
|
136.23 |
unknown |
via CMAUP database |
Terpinolene
|
11463 |
Click to see
CC1=CCC(=C(C)C)CC1
|
136.23 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(1R,4S,6S,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane
|
13240187 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3R,6E)-nerolidol
|
11241545 |
Click to see
CC(=CCCC(=CCCC(C)(C=C)O)C)C
|
222.37 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3S,6E)-Nerolidol
|
5281525 |
Click to see
CC(=CCCC(=CCCC(C)(C=C)O)C)C
|
222.37 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(R)-beta-bisabolene
|
68128 |
Click to see
CC1=CCC(CC1)C(=C)CCC=C(C)C
|
204.35 |
unknown |
via CMAUP database |
Bisabolol
|
1549992 |
Click to see
CC1=CCC(CC1)C(C)(CCC=C(C)C)O
|
222.37 |
unknown |
via CMAUP database |
Caryophyllene epoxide
|
14350 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
Copaborneol
|
101289803 |
Click to see
CC(C)C1CCC2(C3C1C(C2(CC3)C)O)C
|
222.37 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
delta-Cadinol
|
3084311 |
Click to see
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
|
222.37 |
unknown |
via CMAUP database |
Methyl 2-(6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl)prop-2-enoate
|
163055633 |
Click to see
CC1CC(=O)C=C(C12CCC(C2)C(=C)C(=O)OC)C
|
262.34 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
methyl 2-[(3R,5S,6S)-6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl]prop-2-enoate
|
163193453 |
Click to see
CC1CC(=O)C=C(C12CCC(C2)C(=C)C(=O)OC)C
|
262.34 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
Nerolidol
|
8888 |
Click to see
CC(=CCCC(=CCCC(C)(C=C)O)C)C
|
222.37 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
|
(1aS,4aR,7R,7aS,7bS)-1,1,7-trimethyl-4-methylidene-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[h]azulen-4a-ol
|
163051061 |
Click to see
CC1CCC2(C1C3C(C3(C)C)CCC2=C)O
|
220.35 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(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/10.1016/0031-9422(88)83027-9 |
1,1,7-Trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol
|
522266 |
Click to see
CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C
|
220.35 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
1,1,7-Trimethyl-4-methylidene-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[h]azulen-4a-ol
|
14191252 |
Click to see
CC1CCC2(C1C3C(C3(C)C)CCC2=C)O
|
220.35 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
|
(+)-(5R,7S,10S)-cis-Selina-4(15),11-dien-5-ol
|
11031402 |
Click to see
CC(=C)C1CCC2(CCCC(=C)C2(C1)O)C
|
220.35 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
|
163013816 |
Click to see
CC(=C)C1CCC2(CCCC(=C)C2(C1)O)C
|
220.35 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
Methyl 2-(1,3,5-trihydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoate
|
14191298 |
Click to see
CC12CC(C(C(C1C(=C)CCC2O)O)C(=C)C(=O)OC)O
|
296.36 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
Methyl 2-(3-acetyloxy-1,5,8-trihydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoate
|
14191308 |
Click to see
CC(=O)OC1CC2(C(CCC(C2C(C1C(=C)C(=O)OC)O)(C)O)O)C
|
356.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
methyl 2-(7-acetyloxy-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)prop-2-enoate
|
14191254 |
Click to see
CC1=C2CC(CCC2(CCC1OC(=O)C)C)C(=C)C(=O)OC
|
306.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
methyl 2-[(1R,2R,3S,4aR,5R,8aS)-1,3,5-trihydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate
|
14191299 |
Click to see
CC12CC(C(C(C1C(=C)CCC2O)O)C(=C)C(=O)OC)O
|
296.36 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
methyl 2-[(1S,2S,3S,4aR,5R,8R,8aS)-3-acetyloxy-1,5,8-trihydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate
|
14191309 |
Click to see
CC(=O)OC1CC2(C(CCC(C2C(C1C(=C)C(=O)OC)O)(C)O)O)C
|
356.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
methyl 2-[(2R,4aS,7S)-7-acetyloxy-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoate
|
14191255 |
Click to see
CC1=C2CC(CCC2(CCC1OC(=O)C)C)C(=C)C(=O)OC
|
306.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
|
(1R,2S,4R,5R,8E,11S)-5,9-dimethyl-14-methylidene-3,12-dioxatricyclo[9.3.0.02,4]tetradec-8-en-13-one
|
163100018 |
Click to see
CC1CCC=C(CC2C(C3C1O3)C(=C)C(=O)O2)C
|
248.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3aR,4S,10E,11aR)-4-hydroxy-10-methyl-3,6-dimethylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2,7-dione
|
14191269 |
Click to see
CC1=CC2C(C(CC(=C)C(=O)CC1)O)C(=C)C(=O)O2
|
262.30 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3aR,4S,7R,10E,11aR)-4,7-dihydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
|
12769766 |
Click to see
CC1=CC2C(C(CC(=C)C(CC1)O)O)C(=C)C(=O)O2
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3aS,4R,5E,9R,11aS)-9-hydroperoxy-4-hydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
|
14191265 |
Click to see
CC1=CC(C2C(CC(=C)C(CC1)OO)OC(=O)C2=C)O
|
280.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3aS,4R,5E,9S,11aS)-9-hydroperoxy-4-hydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
|
14191264 |
Click to see
CC1=CC(C2C(CC(=C)C(CC1)OO)OC(=O)C2=C)O
|
280.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3aS,4R,5Z,9S,11aS)-4,9-dihydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
|
52319932 |
Click to see
CC1=CC(C2C(CC(=C)C(CC1)O)OC(=O)C2=C)O
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(7-hydroperoxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl) acetate
|
162852159 |
Click to see
CC1=CC2C(C(CC(=C)C(CC1)OO)OC(=O)C)C(=C)C(=O)O2
|
322.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(7-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl) acetate
|
162917315 |
Click to see
CC1=CC2C(C(CC(=C)C(CC1)O)OC(=O)C)C(=C)C(=O)O2
|
306.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(9-hydroxy-6-methyl-3,10-dimethylidene-2-oxo-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl) acetate
|
73717559 |
Click to see
CC1=CC(C2C(CC(=C)C(CC1)O)OC(=O)C2=C)OC(=O)C
|
306.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
[(3aR,4R,5E,9S,11aS)-9-hydroxy-6-methyl-3,10-dimethylidene-2-oxo-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] acetate
|
20839508 |
Click to see
CC1=CC(C2C(CC(=C)C(CC1)O)OC(=O)C2=C)OC(=O)C
|
306.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
[(3aR,4S,7R,10E,11aR)-7-hydroperoxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] acetate
|
14191273 |
Click to see
CC1=CC2C(C(CC(=C)C(CC1)OO)OC(=O)C)C(=C)C(=O)O2
|
322.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
[(3aR,4S,7R,10E,11aR)-7-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] acetate
|
14191271 |
Click to see
CC1=CC2C(C(CC(=C)C(CC1)O)OC(=O)C)C(=C)C(=O)O2
|
306.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
1-epi-tatridin B
|
7605278 |
Click to see
CC1=CC(C2C(CC(=C)C(CC1)O)OC(=O)C2=C)O
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
4-Hydroxy-10-methyl-3,6-dimethylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2,7-dione
|
162850705 |
Click to see
CC1=CC2C(C(CC(=C)C(=O)CC1)O)C(=C)C(=O)O2
|
262.30 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
4,7-dihydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
|
163082700 |
Click to see
CC1=CC2C(C(CC(=C)C(CC1)O)O)C(=C)C(=O)O2
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
4,9-dihydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
|
4437183 |
Click to see
CC1=CC(C2C(CC(=C)C(CC1)O)OC(=O)C2=C)O
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
5,9-Dimethyl-14-methylidene-3,12-dioxatricyclo[9.3.0.02,4]tetradec-8-en-13-one
|
163100017 |
Click to see
CC1CCC=C(CC2C(C3C1O3)C(=C)C(=O)O2)C
|
248.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
9-hydroperoxy-4-hydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
|
163094762 |
Click to see
CC1=CC(C2C(CC(=C)C(CC1)OO)OC(=O)C2=C)O
|
280.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
tatridin B
|
14191260 |
Click to see
CC1=CC(C2C(CC(=C)C(CC1)O)OC(=O)C2=C)O
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Eudesmanolides, secoeudesmanolides, and derivatives
|
(3aR,4R,5aR,6R,8R,9bS)-4,6,8-trihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
|
14191311 |
Click to see
CC1=C2C3C(C(CC2(C(CC1O)O)C)O)C(=C)C(=O)O3
|
280.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3aR,4R,5aR,6R,9aS,9bR)-4,6-dihydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
|
14191278 |
Click to see
CC12CC(C3C(C1C(=C)CCC2O)OC(=O)C3=C)O
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3aR,4R,5aR,6R,9aS,9bR)-4,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
|
14191288 |
Click to see
CC1=CCC(C2(C1C3C(C(C2)O)C(=C)C(=O)O3)C)O
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3aR,4R,5aR,6R,9bS)-4,6-dihydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,9b-hexahydrobenzo[g][1]benzofuran-2,8-dione
|
14191313 |
Click to see
CC1=C2C3C(C(CC2(C(CC1=O)O)C)O)C(=C)C(=O)O3
|
278.30 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3aR,4R,5aR,6R,9R,9aS,9bS)-4,6,9-trihydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
|
14191306 |
Click to see
CC1(CCC(C2(C1C3C(C(C2)O)C(=C)C(=O)O3)C)O)O
|
282.33 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3aR,4R,5aR,9aR,9bR)-4-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
|
14191286 |
Click to see
CC1=CCCC2(C1C3C(C(C2)O)C(=C)C(=O)O3)C
|
248.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3aR,4R,5aR,9aS,9bR)-4-hydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
|
14191275 |
Click to see
CC12CCCC(=C)C1C3C(C(C2)O)C(=C)C(=O)O3
|
248.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3aR,4S,5aR,6R,9aS,9bR)-4,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
|
14191289 |
Click to see
CC1=CCC(C2(C1C3C(C(C2)O)C(=C)C(=O)O3)C)O
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3aR,4S,5aR,6R,9R,9aS,9bS)-4,6,9-trihydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
|
14191307 |
Click to see
CC1(CCC(C2(C1C3C(C(C2)O)C(=C)C(=O)O3)C)O)O
|
282.33 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3aR,4S,5aS,6S,9aS,9bR)-4,6-dihydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
|
14191279 |
Click to see
CC12CC(C3C(C1C(=C)CCC2O)OC(=O)C3=C)O
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3aR,4S,5aS,6S,9bS)-4,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
|
14191301 |
Click to see
CC1=C2C3C(C(CC2(C(CC1)O)C)O)C(=C)C(=O)O3
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(5,8-Dihydroxy-5,8a-dimethyl-3-methylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl) acetate
|
14191302 |
Click to see
CC(=O)OC1C2C(CC3(C1C(CCC3O)(C)O)C)OC(=O)C2=C
|
324.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(6,9-Dihydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate
|
14191295 |
Click to see
CC(=O)OC1CC2(C(CCC(C2C3C1C(=C)C(=O)O3)(C)O)O)C
|
324.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
[(3aR,4S,4aS,5R,8R,8aR,9aS)-5,8-dihydroxy-5,8a-dimethyl-3-methylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] acetate
|
14191303 |
Click to see
CC(=O)OC1C2C(CC3(C1C(CCC3O)(C)O)C)OC(=O)C2=C
|
324.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
[(3aR,4S,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] acetate
|
14191282 |
Click to see
CC(=O)OC1CC2(C(CCC(=C)C2C3C1C(=C)C(=O)O3)O)C
|
306.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
[(3aR,4S,5aR,6R,9R,9aS,9bS)-6,9-dihydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] acetate
|
14191297 |
Click to see
CC(=O)OC1CC2(C(CCC(C2C3C1C(=C)C(=O)O3)(C)O)O)C
|
324.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
[(3aR,4S,5aR,6R,9S,9aS,9bS)-6,9-dihydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] acetate
|
14191296 |
Click to see
CC(=O)OC1CC2(C(CCC(C2C3C1C(=C)C(=O)O3)(C)O)O)C
|
324.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
4-Hydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
|
14191274 |
Click to see
CC12CCCC(=C)C1C3C(C(C2)O)C(=C)C(=O)O3
|
248.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
4-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
|
14191285 |
Click to see
CC1=CCCC2(C1C3C(C(C2)O)C(=C)C(=O)O3)C
|
248.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
4,6-Dihydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,9b-hexahydrobenzo[g][1]benzofuran-2,8-dione
|
14191312 |
Click to see
CC1=C2C3C(C(CC2(C(CC1=O)O)C)O)C(=C)C(=O)O3
|
278.30 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
4,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
|
14191300 |
Click to see
CC1=C2C3C(C(CC2(C(CC1)O)C)O)C(=C)C(=O)O3
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
4,6-Dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
|
14191287 |
Click to see
CC1=CCC(C2(C1C3C(C(C2)O)C(=C)C(=O)O3)C)O
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
4,6,8-trihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
|
14191310 |
Click to see
CC1=C2C3C(C(CC2(C(CC1O)O)C)O)C(=C)C(=O)O3
|
280.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
4,6,9-Trihydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
|
14191305 |
Click to see
CC1(CCC(C2(C1C3C(C(C2)O)C(=C)C(=O)O3)C)O)O
|
282.33 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
Naphtho(1,2-b)furan-2(3H)-one, decahydro-4,6-dihydroxy-5a-methyl-3,9-bis(methylene)-, (3aR,4S,5aR,6R,9aS,9bR)-
|
156601 |
Click to see
CC12CC(C3C(C1C(=C)CCC2O)OC(=O)C3=C)O
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
|
(1S,2S,4R,7E,10S,11R)-10-hydroxy-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
|
88590525 |
Click to see
CC1=CCCC2(C(O2)C3C(C(C1)O)C(=C)C(=O)O3)C
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3aR,4S,5E,9R,10E,11aR)-4,9-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one
|
163075603 |
Click to see
CC1=CC(C2C(C=C(C(CC1)O)C)OC(=O)C2=C)O
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3aS,4R,5E,9E,11aS)-3a,4,7,8,11,11a-Hexahydro-4-hydroxy-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one
|
14191561 |
Click to see
CC1=CC(C2C(CC(=CCC1)C)OC(=O)C2=C)O
|
248.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(3aS,6E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
|
133640194 |
Click to see
CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C
|
232.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(6,10-Dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) acetate
|
97215 |
Click to see
CC1=CC2C(C(CC(=CCC1)C)OC(=O)C)C(=C)C(=O)O2
|
290.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
(6,10-Dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl) acetate
|
299917 |
Click to see
CC1=CC(C2C(CC(=CCC1)C)OC(=O)C2=C)OC(=O)C
|
290.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
[(3aR,4R,5Z,9Z,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] acetate
|
90471674 |
Click to see
CC1=CC(C2C(CC(=CCC1)C)OC(=O)C2=C)OC(=O)C
|
290.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
10-Hydroxy-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
|
73097248 |
Click to see
CC1=CCCC2(C(O2)C3C(C(C1)O)C(=C)C(=O)O3)C
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
4-Hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
|
98949 |
Click to see
CC1=CC2C(C(CC(=CCC1)C)O)C(=C)C(=O)O2
|
248.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
4-Hydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2-one
|
73718740 |
Click to see
CC1=CC(C2C(CC(=CCC1)C)OC(=O)C2=C)O
|
248.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
4,9-Dihydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one
|
72731791 |
Click to see
CC1=CC(C2C(C=C(C(CC1)O)C)OC(=O)C2=C)O
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
Costunolide
|
5281437 |
Click to see
CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C
|
232.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
Deacetyllaurenobiolide
|
44602442 |
Click to see
CC1=CC(C2C(CC(=CCC1)C)OC(=O)C2=C)O
|
248.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
Eupatolide
|
5281460 |
Click to see
CC1=CC2C(C(CC(=CCC1)C)O)C(=C)C(=O)O2
|
248.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
Laurenobiolide
|
5281475 |
Click to see
CC1=CC(C2C(CC(=CCC1)C)OC(=O)C2=C)OC(=O)C
|
290.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
tatridin-A
|
101297649 |
Click to see
CC1=CC(C2C(C=C(C(CC1)O)C)OC(=O)C2=C)O
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
Tulipinolide
|
5281504 |
Click to see
CC1=CC2C(C(CC(=CCC1)C)OC(=O)C)C(=C)C(=O)O2
|
290.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
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/10.1016/0031-9422(88)83027-9 |
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/10.1016/0031-9422(88)83027-9 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
(3S,8R,9R,10R,13R,14R,17R)-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
|
11870456 |
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 / Alcohols and polyols / Primary alcohols
|
[3a,5a-Dimethyl-6-(5-methylhept-3-en-2-yl)-1,2,3,3b,4,5,6,7,8,8a,10,10a-dodecahydroindeno[5,4-e]inden-1-yl]methanol
|
73833495 |
Click to see
CCC(C)C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC4CO)C)C
|
384.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthenes
|
6-Hydroxy-1,11,15,19-tetramethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-19-carbaldehyde
|
14564365 |
Click to see
CC1(CCCC2(C1CCC3(C2CCC4(C3CC5=C(O4)C=CC(=C5)O)C)C)C)C=O
|
396.60 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
|
Pinocembrin
|
68071 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
|
256.25 |
unknown |
via CMAUP database |
Strobopinin
|
442520 |
Click to see
CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=CC=C3)O
|
270.28 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
Quercetin
|
5280343 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
|
302.23 |
unknown |
https://doi.org/10.1016/0031-9422(88)83027-9 |
> Phenylpropanoids and polyketides / Stilbenes
|
3-Methoxy-5-(2-phenylethenyl)phenol
|
182229 |
Click to see
COC1=CC(=CC(=C1)O)C=CC2=CC=CC=C2
|
226.27 |
unknown |
via CMAUP database |
3,5-Dimethoxystilbene
|
5316874 |
Click to see
COC1=CC(=CC(=C1)C=CC2=CC=CC=C2)OC
|
240.30 |
unknown |
via CMAUP database |