> Benzenoids / Benzene and substituted derivatives / Phenethylamines
|
N-Methyltyramine
|
9727 |
Click to see
CNCCC1=CC=C(C=C1)O
|
151.21 |
unknown |
via CMAUP database |
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
|
gamma-Terpinene
|
7461 |
Click to see
CC1=CCC(=CC1)C(C)C
|
136.23 |
unknown |
via CMAUP database |
> Hydrocarbons / Unsaturated hydrocarbons / Enynes
|
(E)-1,11-Tridecadiene-3,5,7,9-tetrayne
|
5352703 |
Click to see
CC=CC#CC#CC#CC#CC=C
|
164.20 |
unknown |
https://doi.org/10.1016/0031-9422(83)80242-8 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
|
(2E,10E)-2,10,12-Tridecatriene-4,6,8-triyn-1-ol acetate
|
14729087 |
Click to see
CC(=O)OCC=CC#CC#CC#CC=CC=C
|
224.25 |
unknown |
https://doi.org/10.1016/0031-9422(83)80242-8 |
Geranyl acetate
|
1549026 |
Click to see
CC(=CCCC(=CCOC(=O)C)C)C
|
196.29 |
unknown |
via CMAUP database |
Trideca-2,10,12-trien-4,6,8-triynyl acetate
|
92042445 |
Click to see
CC(=O)OCC=CC#CC#CC#CC=CC=C
|
224.25 |
unknown |
https://doi.org/10.1016/0031-9422(83)80242-8 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
|
Nonan-1-ol
|
8914 |
Click to see
CCCCCCCCCO
|
144.25 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
|
2,12-Tridecadiene-4,6,8,10-tetrayne-1-ol
|
14729085 |
Click to see
C=CC#CC#CC#CC#CC=CCO
|
180.20 |
unknown |
https://doi.org/10.1016/0031-9422(83)80242-8 |
Trideca-2,12-dien-4,6,8,10-tetrayn-1-ol
|
54414002 |
Click to see
C=CC#CC#CC#CC#CC=CCO
|
180.20 |
unknown |
https://doi.org/10.1016/0031-9422(83)80242-8 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
(-)-Citronellol
|
7793 |
Click to see
CC(CCC=C(C)C)CCO
|
156.26 |
unknown |
via CMAUP database |
(R)-(+)-Citronellal
|
75427 |
Click to see
CC(CCC=C(C)C)CC=O
|
154.25 |
unknown |
via CMAUP database |
beta-Ocimene
|
18756 |
Click to see
CC(=CCC=C(C)C=C)C
|
136.23 |
unknown |
via CMAUP database |
Citral
|
638011 |
Click to see
CC(=CCCC(=CC=O)C)C
|
152.23 |
unknown |
via CMAUP database |
Geraniol
|
637566 |
Click to see
CC(=CCCC(=CCO)C)C
|
154.25 |
unknown |
via CMAUP database |
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 |
Neral
|
643779 |
Click to see
CC(=CCCC(=CC=O)C)C
|
152.23 |
unknown |
via CMAUP database |
Nerol
|
643820 |
Click to see
CC(=CCCC(=CCO)C)C
|
154.25 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
|
2-Isopropyl-5-methylanisole
|
14104 |
Click to see
CC1=CC(=C(C=C1)C(C)C)OC
|
164.24 |
unknown |
https://doi.org/10.1016/0031-9422(83)80242-8 |
2,5-Dimethoxy-p-cymene
|
6427071 |
Click to see
CC1=CC(=C(C=C1OC)C(C)C)OC
|
194.27 |
unknown |
https://doi.org/10.1016/0031-9422(83)80242-8 |
Isobutyl thymyl ether
|
24838067 |
Click to see
CC1=CC(=C(C=C1)C(C)C)OCC(C)C
|
206.32 |
unknown |
https://doi.org/10.1016/0031-9422(83)80242-8 |
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 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
(+)-alpha-Phellandrene
|
443160 |
Click to see
CC1=CCC(C=C1)C(C)C
|
136.23 |
unknown |
via CMAUP database |
(+)-alpha-Terpineol
|
442501 |
Click to see
CC1=CCC(CC1)C(C)(C)O
|
154.25 |
unknown |
via CMAUP database |
(+)-Terpinen-4-ol
|
2724161 |
Click to see
CC1=CCC(CC1)(C(C)C)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
|
(-)-alpha-Curcumene
|
442360 |
Click to see
CC1=CC=C(C=C1)C(C)CCC=C(C)C
|
202.33 |
unknown |
https://doi.org/10.1016/0031-9422(83)80242-8 |
1-Methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,3-diene
|
6428861 |
Click to see
CC1=CC=C(CC1)C(C)CCC=C(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(83)80242-8 |
1-Methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
|
71404158 |
Click to see
CC1=CC=C(CC1)C(C)CCC=C(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(83)80242-8 |
2-(1,5-Dimethyl-4-hexenyl)-3-hydroxy-5-methylbenzo-1,4-quinone
|
339385 |
Click to see
CC1=CC(=O)C(=C(C1=O)O)C(C)CCC=C(C)C
|
248.32 |
unknown |
https://doi.org/10.1016/0031-9422(83)80242-8 |
2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-2,5-diene-1,4-dione
|
10752054 |
Click to see
CC1=CC(=O)C(=CC1=O)C(C)CCC=C(C)C
|
232.32 |
unknown |
https://doi.org/10.1016/0031-9422(83)80242-8 |
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(83)80242-8 |
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)-
|
6887 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
via CMAUP database |
Rigidone
|
642462 |
Click to see
CC1=CC(=O)C(=C(C1=O)O)C(C)CCC=C(C)C
|
248.32 |
unknown |
https://doi.org/10.1016/0031-9422(83)80242-8 |
Ylangene
|
20055075 |
Click to see
CC1=CCC2C3C1C2(CCC3C(C)C)C
|
204.35 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
|
(3R,3'R,5R,6S,6'R)-5,6-Epoxy-beta,epsilon-carotene-3,3'-diol
|
14016513 |
Click to see
CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C)(C)C)O
|
584.90 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids / Limonoids
|
(1R,2R,7S,10S,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione
|
92966492 |
Click to see
CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C
|
470.50 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
|
Decanal
|
8175 |
Click to see
CCCCCCCCCC=O
|
156.26 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Epoxides
|
(2S,3S)-2-dec-9-en-1,3,5,7-tetraynyl-3-methyloxirane
|
162922576 |
Click to see
CC1C(O1)C#CC#CC#CC#CC=C
|
180.20 |
unknown |
https://doi.org/10.1016/0031-9422(83)80242-8 |
2-Dec-9-en-1,3,5,7-tetraynyl-3-methyloxirane
|
101411972 |
Click to see
CC1C(O1)C#CC#CC#CC#CC=C
|
180.20 |
unknown |
https://doi.org/10.1016/0031-9422(83)80242-8 |
> Phenylpropanoids and polyketides / Coumarins and derivatives
|
5,7-Dimethoxycoumarin
|
2775 |
Click to see
COC1=CC2=C(C=CC(=O)O2)C(=C1)OC
|
206.19 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
|
[5-Acetyloxy-6-[2,3-dihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenoxy]-3,4-dihydroxyoxan-2-yl]methyl 3-phenylprop-2-enoate
|
74819199 |
Click to see
CC(=O)OC1C(C(C(OC1OC2=C(C(=C(C=C2)C(=O)C=CC3=CC=C(C=C3)O)O)O)COC(=O)C=CC4=CC=CC=C4)O)O
|
606.60 |
unknown |
https://doi.org/10.1021/NP970470F |
4'-[(2-O-Acetyl-6-O-cinnamoyl-beta-D-glucopyranosyl)oxy]-2',3',4-trihydroxychalcone
|
10579559 |
Click to see
CC(=O)OC1C(C(C(OC1OC2=C(C(=C(C=C2)C(=O)C=CC3=CC=C(C=C3)O)O)O)COC(=O)C=CC4=CC=CC=C4)O)O
|
606.60 |
unknown |
https://doi.org/10.1021/NP970470F |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
3-(4-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyloxy)-3',4',5,7-tetrahydroxy-6-methoxyflavone
|
102403055 |
Click to see
COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)C5=CC(=C(C=C5)O)O)O
|
656.50 |
unknown |
https://doi.org/10.1016/0031-9422(83)80242-8 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
|
2-(3,4-dihydroxyphenyl)-7-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxychromen-4-one
|
162886874 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC(=C(C=C5)O)O)O)OC6C(C(C(CO6)O)O)O)O)O)O)O)O
|
742.60 |
unknown |
https://doi.org/10.1021/NP970470F |
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3S,4R,5R,6S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-3,5-dihydroxychromen-4-one
|
163105033 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)OC6C(C(C(C(O6)C)O)O)OC7C(C(C(CO7)O)O)O)O)O
|
888.80 |
unknown |
https://doi.org/10.1021/NP970470F |