> Benzenoids / Benzene and substituted derivatives / Phenylpropanes
|
2-(4-Methylphenyl)propan-2-ol
|
14529 |
Click to see
CC1=CC=C(C=C1)C(C)(C)O
|
150.22 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
> Benzenoids / Phenols / Methoxyphenols
|
Eugenol
|
3314 |
Click to see
COC1=C(C=CC(=C1)CC=C)O
|
164.20 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
> Hydrocarbons / Saturated hydrocarbons / Alkanes
|
Undecane
|
14257 |
Click to see
CCCCCCCCCCC
|
156.31 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
|
gamma-Terpinene
|
7461 |
Click to see
CC1=CCC(=CC1)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
|
1-Octen-3-Ol
|
18827 |
Click to see
CCCCCC(C=C)O
|
128.21 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
Ferruginol
|
442027 |
Click to see
CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)O
|
286.50 |
unknown |
https://doi.org/10.1080/10575630108041297 |
Isopimaradienal
|
25202521 |
Click to see
CC1(CCC2C(=CCC3C2(CCCC3(C)C=O)C)C1)C=C
|
286.50 |
unknown |
https://doi.org/10.1080/10575630108041297 |
Isopimaric Acid
|
442048 |
Click to see
CC1(CCC2C(=CCC3C2(CCCC3(C)C(=O)O)C)C1)C=C
|
302.50 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00225-5 https://doi.org/10.1080/10575630108041297 |
Sandaracopimaric Acid
|
221580 |
Click to see
CC1(CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C=C
|
302.50 |
unknown |
https://doi.org/10.1080/10575630108041297 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
beta-Ocimene, (3Z)-
|
5320250 |
Click to see
CC(=CCC=C(C)C=C)C
|
136.23 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Linalool, (+/-)-
|
6549 |
Click to see
CC(=CCCC(C)(C=C)O)C
|
154.25 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Myrcene
|
31253 |
Click to see
CC(=CCCC(=C)C=C)C
|
136.23 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
|
Carvacrol
|
10364 |
Click to see
CC1=C(C=C(C=C1)C(C)C)O
|
150.22 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
p-CYMENE
|
7463 |
Click to see
CC1=CC=C(C=C1)C(C)C
|
134.22 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Thymol
|
6989 |
Click to see
CC1=CC(=C(C=C1)C(C)C)O
|
150.22 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
(5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
|
6429260 |
Click to see
CC(C)C12CCC(=C)C1C2
|
136.23 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol
|
64685 |
Click to see
CC1(C2CCC1(C(C2)O)C)C
|
154.25 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
alpha-Fenchene
|
28930 |
Click to see
CC1(C2CCC1C(=C)C2)C
|
136.23 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
alpha-PINENE
|
6654 |
Click to see
CC1=CCC2CC1C2(C)C
|
136.23 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
beta-Pinene
|
14896 |
Click to see
CC1(C2CCC(=C)C1C2)C
|
136.23 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Camphene
|
6616 |
Click to see
CC1(C2CCC(C2)C1=C)C
|
136.23 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Camphor
|
2537 |
Click to see
CC1(C2CCC1(C(=O)C2)C)C
|
152.23 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
CID 44630107
|
44630107 |
Click to see
CC1(C2CCC1(C(C2)O)C)C
|
154.25 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Myrtenol
|
10582 |
Click to see
CC1(C2CC=C(C1C2)CO)C
|
152.23 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Sabinen
|
18818 |
Click to see
CC(C)C12CCC(=C)C1C2
|
136.23 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Tricyclene
|
79035 |
Click to see
CC1(C2CC3C1(C3C2)C)C
|
136.23 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
4-Terpineol, (+/-)-
|
11230 |
Click to see
CC1=CCC(CC1)(C(C)C)O
|
154.25 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
alpha-PHELLANDRENE
|
7460 |
Click to see
CC1=CCC(C=C1)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
alpha-Terpinene
|
7462 |
Click to see
CC1=CC=C(CC1)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Alpha-Terpineol
|
17100 |
Click to see
CC1=CCC(CC1)C(C)(C)O
|
154.25 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Limonene, (+/-)-
|
22311 |
Click to see
CC1=CCC(CC1)C(=C)C
|
136.23 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Terpinolene
|
11463 |
Click to see
CC1=CCC(=C(C)C)CC1
|
136.23 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(-)-beta-Bourbonene
|
324224 |
Click to see
CC(C)C1CCC2(C1C3C2CCC3=C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
(+)-delta-Cadinene
|
441005 |
Click to see
CC1=CC2C(CCC(=C2CC1)C)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
(+)-Gamma-cadinene
|
6432404 |
Click to see
CC1=CC2C(CC1)C(=C)CCC2C(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
(1R,2S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
|
92042749 |
Click to see
CC1=CCC2C3C1C2(CCC3C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
(1R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
|
5315594 |
Click to see
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
|
222.37 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
1-Ethenyl-1,2-dimethyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane
|
5317024 |
Click to see
CC(=C1CCC(C(C1)(C)C(=C)C)(C)C=C)C
|
218.38 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
1,2,4a,5,6,8a-Hexahydro-1-isopropyl-4,7-dimethylnaphthalene
|
101708 |
Click to see
CC1=CC2C(CC1)C(=CCC2C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
1,6-Dimethyl-4-isopropyltetralin
|
10224 |
Click to see
CC1CCC(C2=C1C=CC(=C2)C)C(C)C
|
202.33 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
2-Isopropenyl-1-methyl-4-(1-methylethylidene)-1-vinylcyclohexane
|
6432312 |
Click to see
CC(=C1CCC(C(C1)C(=C)C)(C)C=C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
6,10,14-Trimethylpentadecan-2-one
|
10408 |
Click to see
CC(C)CCCC(C)CCCC(C)CCCC(=O)C
|
268.50 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
alpha-Muurolene
|
12306047 |
Click to see
CC1=CC2C(CC1)C(=CCC2C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
beta-Bourbonene
|
62566 |
Click to see
CC(C)C1CCC2(C1C3C2CCC3=C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
beta-CARYOPHYLLENE OXIDE
|
1742210 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Cadina-1(10),4-diene
|
10223 |
Click to see
CC1=CC2C(CCC(=C2CC1)C)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Calamenene
|
6429077 |
Click to see
CC1CCC(C2=C1C=CC(=C2)C)C(C)C
|
202.33 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Caryophyllene
|
5281515 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Caryophyllene epoxide
|
14350 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Copaene
|
19725 |
Click to see
CC1=CCC2C3C1C2(CCC3C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
delta-Cadinol
|
3084311 |
Click to see
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
|
222.37 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
gamma-Cadinene
|
15094 |
Click to see
CC1=CC2C(CC1)C(=C)CCC2C(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
gamma-Muurolene
|
12313020 |
Click to see
CC1=CC2C(CC1)C(=C)CCC2C(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Humulene
|
5281520 |
Click to see
CC1=CCC(C=CCC(=CCC1)C)(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
> 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/10.1080/10412905.1995.9698508 |
(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/10.1080/10412905.1995.9698508 |
Viridiflorol
|
11996452 |
Click to see
CC1CCC2C1C3C(C3(C)C)CCC2(C)O
|
222.37 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Viridiflorol (incomplete stereochemistry)
|
94174 |
Click to see
CC1CCC2C1C3C(C3(C)C)CCC2(C)O
|
222.37 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
|
alpha-Eudesmol
|
92762 |
Click to see
CC1=CCCC2(C1CC(CC2)C(C)(C)O)C
|
222.37 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
beta-EUDESMOL
|
91457 |
Click to see
CC12CCCC(=C)C1CC(CC2)C(C)(C)O
|
222.37 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
|
(S,1Z,6Z)-8-Isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene
|
91723653 |
Click to see
CC1=CCCC(=C)C=CC(CC1)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
Germacrene D
|
5317570 |
Click to see
CC1=CCCC(=C)C=CC(CC1)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
alpha-Amyrin
|
73170 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
|
426.70 |
unknown |
https://doi.org/10.1080/10575630108041297 |
Lupeol
|
259846 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1080/10575630108041297 |
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/10.1080/10575630108041297 |
Oleanonic acid
|
12313704 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C(=O)O)C
|
454.70 |
unknown |
https://doi.org/10.1080/10575630108041297 |
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 |
https://doi.org/10.1080/10575630108041297 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
17-(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
|
86821 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1080/10575630108041297 |
24-Ethylcholest-5-en-3beta-ol
|
22012 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1080/10575630108041297 |
beta-Sitosterol 3-O-beta-D-galactopyranoside
|
296119 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1080/10575630108041297 |
Sitogluside
|
5742590 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1080/10575630108041297 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
|
Nonanal
|
31289 |
Click to see
CCCCCCCCC=O
|
142.24 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones
|
5-Methyl-hept-3-en-2-one
|
138412 |
Click to see
CCC(C)C=CC(=O)C
|
126.20 |
unknown |
https://doi.org/10.1080/10412905.1995.9698508 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
Salvigenin
|
161271 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
|
328.30 |
unknown |
https://doi.org/10.1080/10575630108041297 |