> Benzenoids / Benzene and substituted derivatives
|
(2S)-4-phenyl-2-butanol
|
6994425 |
Click to see
CC(CCC1=CC=CC=C1)O
|
150.22 |
unknown |
https://doi.org/10.1016/0031-9422(86)80021-8 |
4-Phenyl-2-butanol
|
61302 |
Click to see
CC(CCC1=CC=CC=C1)O
|
150.22 |
unknown |
https://doi.org/10.1016/0031-9422(86)80021-8 |
Benzylacetone
|
17355 |
Click to see
CC(=O)CCC1=CC=CC=C1
|
148.20 |
unknown |
https://doi.org/10.1016/0031-9422(86)80021-8 |
Capillene
|
3083613 |
Click to see
CC#CC#CCC1=CC=CC=C1
|
154.21 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
|
2-Decene-4,6,8-triynoic acid, methyl ester, (Z)-
|
5281309 |
Click to see
CC#CC#CC#CC=CC(=O)OC
|
172.18 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
Dehydromatricaria ester
|
5281146 |
Click to see
CC#CC#CC#CC=CC(=O)OC
|
172.18 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
Methyl 2-decene-4,6,8-triynoate
|
75958 |
Click to see
CC#CC#CC#CC=CC(=O)OC
|
172.18 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
Camphor (synthetic)
|
159055 |
Click to see
CC1(C2CCC1(C(=O)C2)C)C
|
152.23 |
unknown |
https://doi.org/10.1016/0031-9422(86)80021-8 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(2S)-6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
|
6097621 |
Click to see
CC1=CCC(CC1)C(C)(CCC=C(C)C)O
|
222.37 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
(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(90)85307-2 |
(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(90)85307-2 |
alpha-Bisabolol
|
10586 |
Click to see
CC1=CCC(CC1)C(C)(CCC=C(C)C)O
|
222.37 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
alpha-Curcumene
|
92139 |
Click to see
CC1=CC=C(C=C1)C(C)CCC=C(C)C
|
202.33 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
Bisabolol
|
1549992 |
Click to see
CC1=CCC(CC1)C(C)(CCC=C(C)C)O
|
222.37 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
Nerolidol
|
8888 |
Click to see
CC(=CCCC(=CCCC(C)(C=C)O)C)C
|
222.37 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
> 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/10.1016/0031-9422(90)85307-2 |
(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/10.1016/0031-9422(90)85307-2 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Eudesmanolides, secoeudesmanolides, and derivatives
|
(3aS,5aR,6R,9S,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-2-one
|
162914815 |
Click to see
CC1CCC(C2(C1C3C(CC2)C(=C)C(=O)O3)C)O
|
250.33 |
unknown |
https://doi.org/10.1016/0031-9422(86)80021-8 |
6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-2-one
|
162914814 |
Click to see
CC1CCC(C2(C1C3C(CC2)C(=C)C(=O)O3)C)O
|
250.33 |
unknown |
https://doi.org/10.1016/0031-9422(86)80021-8 |
Santamarine
|
188297 |
Click to see
CC1=CCC(C2(C1C3C(CC2)C(=C)C(=O)O3)C)O
|
248.32 |
unknown |
https://doi.org/10.1016/0031-9422(86)80021-8 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Guaianolides and derivatives
|
(1R,2R,5S,9S,10S,11R,12R,13S)-2,11,12-trihydroxy-2,11-dimethyl-6-methylidene-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-7-one
|
145954206 |
Click to see
CC1(CCC2C(C3C14C(O4)C(C3(C)O)O)OC(=O)C2=C)O
|
296.31 |
unknown |
https://doi.org/10.1016/0031-9422(86)80021-8 |
(3aS,6R,6aS,9aR,9bS)-6,9a-dihydroxy-6,9-dimethyl-3-methylidene-4,5,6a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
|
162902996 |
Click to see
CC1=CC(=O)C2C1(C3C(CCC2(C)O)C(=C)C(=O)O3)O
|
278.30 |
unknown |
https://doi.org/10.1016/0031-9422(86)80021-8 |
2,11,12-Trihydroxy-2,11-dimethyl-6-methylidene-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-7-one
|
14021435 |
Click to see
CC1(CCC2C(C3C14C(O4)C(C3(C)O)O)OC(=O)C2=C)O
|
296.31 |
unknown |
https://doi.org/10.1016/0031-9422(86)80021-8 |
6,9a-dihydroxy-6,9-dimethyl-3-methylidene-4,5,6a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
|
14414265 |
Click to see
CC1=CC(=O)C2C1(C3C(CCC2(C)O)C(=C)C(=O)O3)O
|
278.30 |
unknown |
https://doi.org/10.1016/0031-9422(86)80021-8 |
Artecanin
|
442147 |
Click to see
CC1(CCC2C(C3C14C(O4)C5C3(O5)C)OC(=O)C2=C)O
|
278.30 |
unknown |
https://doi.org/10.1016/0031-9422(86)80021-8 |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
|
(1aR,2R,4aS,7aS,7bS)-1,1,2-trimethyl-5-methylidene-1a,3,4,4a,6,7,7a,7b-octahydrocyclopropa[e]azulen-2-ol
|
162911161 |
Click to see
CC1(C2C1C(CCC3C2CCC3=C)(C)O)C
|
220.35 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
1,1,2-Trimethyl-5-methylidene-1a,3,4,4a,6,7,7a,7b-octahydrocyclopropa[e]azulen-2-ol
|
92029568 |
Click to see
CC1(C2C1C(CCC3C2CCC3=C)(C)O)C
|
220.35 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
|
4'-Hydroxyacetophenone
|
7469 |
Click to see
CC(=O)C1=CC=C(C=C1)O
|
136.15 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
Acetophenone
|
7410 |
Click to see
CC(=O)C1=CC=CC=C1
|
120.15 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
> Organic oxygen compounds / Organooxygen compounds / Enols
|
Pentadeca-1,7,14-trien-3,5-diyn-2-ol
|
162872148 |
Click to see
C=CCCCCCC=CC#CC#CC(=C)O
|
214.30 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
> Organoheterocyclic compounds / Coumarans
|
methyl (E)-3-[(2S)-2-[(2R)-1-hydroxypropan-2-yl]-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate
|
14730822 |
Click to see
CC(CO)C1CC2=C(O1)C=CC(=C2)C=CC(=O)OC
|
262.30 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
methyl (E)-3-[(2S)-2-[(2S)-1-hydroxypropan-2-yl]-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate
|
14730823 |
Click to see
CC(CO)C1CC2=C(O1)C=CC(=C2)C=CC(=O)OC
|
262.30 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
Methyl 3-[2-(1-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate
|
162881264 |
Click to see
CC(CO)C1CC2=C(O1)C=CC(=C2)C=CC(=O)OC
|
262.30 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
> Organoheterocyclic compounds / Dioxanes / 1,2-dioxanes
|
(1R,4R)-1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]-2,3-dioxabicyclo[2.2.2]oct-5-ene
|
162995952 |
Click to see
CC(CCC=C(C)C)C12CCC(C=C1)(OO2)C
|
236.35 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
(1S,4S)-1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]-2,3-dioxabicyclo[2.2.2]oct-5-ene
|
162995950 |
Click to see
CC(CCC=C(C)C)C12CCC(C=C1)(OO2)C
|
236.35 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
1-Methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
|
10014355 |
Click to see
CC(CCC=C(C)C)C12CCC(C=C1)(OO2)C
|
236.35 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
|
(E)-1-[(2S,3S)-4-methylidene-5-oxo-3-(3-oxobutyl)oxolan-2-yl]hex-3-ene-2,5-dione
|
101317829 |
Click to see
CC(=O)CCC1C(OC(=O)C1=C)CC(=O)C=CC(=O)C
|
278.30 |
unknown |
https://doi.org/10.1016/0031-9422(86)80021-8 |
5-(2-Hydroxy-2-methyl-5-oxocyclopent-3-en-1-yl)-3-methylidene-4-(3-oxobutyl)oxolan-2-one
|
13918467 |
Click to see
CC(=O)CCC1C(OC(=O)C1=C)C2C(=O)C=CC2(C)O
|
278.30 |
unknown |
https://doi.org/10.1016/0031-9422(86)80021-8 |
5-(3-Hydroxy-2-methyl-5-oxocyclopenten-1-yl)-3-methylidene-4-(3-oxobutyl)oxolan-2-one
|
13918472 |
Click to see
CC1=C(C(=O)CC1O)C2C(C(=C)C(=O)O2)CCC(=O)C
|
278.30 |
unknown |
https://doi.org/10.1016/0031-9422(86)80021-8 |
Dehydroleucodine
|
73440 |
Click to see
CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C(=CC2=O)C
|
244.28 |
unknown |
https://doi.org/10.1016/0031-9422(86)80021-8 |
Isosecotanapartholide
|
13918473 |
Click to see
CC1=C(C(=O)CC1O)C2C(C(=C)C(=O)O2)CCC(=O)C
|
278.30 |
unknown |
https://doi.org/10.1016/0031-9422(86)80021-8 |
secotanapartholide B
|
10265551 |
Click to see
CC(=O)CCC1C(OC(=O)C1=C)C2C(=O)C=CC2(C)O
|
278.30 |
unknown |
https://doi.org/10.1016/0031-9422(86)80021-8 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acid esters
|
methyl (E)-3-[3-[(E)-4-hydroxy-3-methylbut-2-enyl]-4-methoxyphenyl]prop-2-enoate
|
14730871 |
Click to see
CC(=CCC1=C(C=CC(=C1)C=CC(=O)OC)OC)CO
|
276.33 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
methyl (E)-3-[4-acetyloxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]phenyl]prop-2-enoate
|
14730872 |
Click to see
CC(=CCC1=C(C=CC(=C1)C=CC(=O)OC)OC(=O)C)CO
|
304.34 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
Methyl 3-[3-(4-hydroxy-3-methylbut-2-enyl)-4-methoxyphenyl]prop-2-enoate
|
163068774 |
Click to see
CC(=CCC1=C(C=CC(=C1)C=CC(=O)OC)OC)CO
|
276.33 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
Methyl 3-[4-acetyloxy-3-(4-hydroxy-3-methylbut-2-enyl)phenyl]prop-2-enoate
|
162904104 |
Click to see
CC(=CCC1=C(C=CC(=C1)C=CC(=O)OC)OC(=O)C)CO
|
304.34 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Coumaric acid esters
|
methyl (E)-3-[4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]phenyl]prop-2-enoate
|
14730824 |
Click to see
CC(=CCC1=C(C=CC(=C1)C=CC(=O)OC)O)CO
|
262.30 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
methyl (E)-3-[4-hydroxy-3-[(Z)-4-hydroxy-3-methylbut-2-enyl]phenyl]prop-2-enoate
|
14730825 |
Click to see
CC(=CCC1=C(C=CC(=C1)C=CC(=O)OC)O)CO
|
262.30 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
methyl (Z)-3-[4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]phenyl]prop-2-enoate
|
14730826 |
Click to see
CC(=CCC1=C(C=CC(=C1)C=CC(=O)OC)O)CO
|
262.30 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
Methyl 3-[4-hydroxy-3-(4-hydroxy-3-methylbut-2-enyl)phenyl]prop-2-enoate
|
163008287 |
Click to see
CC(=CCC1=C(C=CC(=C1)C=CC(=O)OC)O)CO
|
262.30 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
|
Umbelliferone
|
5281426 |
Click to see
C1=CC(=CC2=C1C=CC(=O)O2)O
|
162.14 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
|
(+/-)-Eriodictyol
|
11095 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
|
288.25 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
Eriodictyol
|
440735 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
|
288.25 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
Rhamnetin
|
5281691 |
Click to see
COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O
|
316.26 |
unknown |
https://doi.org/10.1007/BF00580042 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 4-O-methylated flavonoids
|
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
|
3593 |
Click to see
COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O
|
302.28 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
5,7-Dihydroxy-4'-methoxyflavanone
|
5118250 |
Click to see
COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O
|
286.28 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
Hesperetin
|
72281 |
Click to see
COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O
|
302.28 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
Isosakuranetin
|
160481 |
Click to see
COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O
|
286.28 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
(2S)-7-methoxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
|
163084339 |
Click to see
COC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC(=C(C(=C3)O)O)O
|
302.28 |
unknown |
https://doi.org/10.1007/BF00580042 |
3',4',5'-Trihydroxy-7-methoxy-flavanone
|
129813354 |
Click to see
COC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC(=C(C(=C3)O)O)O
|
302.28 |
unknown |
https://doi.org/10.1007/BF00580042 |
5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one
|
348130 |
Click to see
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O
|
286.28 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
Cirsiliol
|
160237 |
Click to see
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)OC
|
330.29 |
unknown |
https://doi.org/10.1007/BF00580042 |
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/10.1007/BF00580042 |
Fastigenin
|
162464 |
Click to see
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O
|
344.30 |
unknown |
https://doi.org/10.1007/BF00580042 |
Sakuranetin
|
73571 |
Click to see
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O
|
286.28 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
> Phenylpropanoids and polyketides / Isocoumarins and derivatives
|
3-Prop-1-ynylisochromen-1-one
|
14730875 |
Click to see
CC#CC1=CC2=CC=CC=C2C(=O)O1
|
184.19 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |
> Phenylpropanoids and polyketides / Macrolides and analogues / Epothilones and analogues
|
(1S,3S,7S,10R,11R,12S,16R)-7,11-dihydroxy-3-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
|
162895870 |
Click to see
CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)CO)C)C
|
523.70 |
unknown |
https://doi.org/10.1016/0031-9422(90)85307-2 |