> Benzenoids / Phenol ethers / Anisoles
|
Estragole
|
8815 |
Click to see
COC1=CC=C(C=C1)CC=C
|
148.20 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
|
gamma-Terpinene
|
7461 |
Click to see
CC1=CCC(=CC1)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
|
Citronellyl acetate
|
9017 |
Click to see
CC(CCC=C(C)C)CCOC(=O)C
|
198.30 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Geranyl acetate
|
1549026 |
Click to see
CC(=CCCC(=CCOC(=O)C)C)C
|
196.29 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Neryl acetate
|
1549025 |
Click to see
CC(=CCCC(=CCOC(=O)C)C)C
|
196.29 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
> 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/10.1055/S-2006-961452 |
3-Octanol
|
11527 |
Click to see
CCCCCC(CC)O
|
130.23 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
beta-CITRONELLOL, (+/-)-
|
8842 |
Click to see
CC(CCC=C(C)C)CCO
|
156.26 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
beta-Ocimene, (3Z)-
|
5320250 |
Click to see
CC(=CCC=C(C)C=C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Geraniol
|
637566 |
Click to see
CC(=CCCC(=CCO)C)C
|
154.25 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Linalool, (+/-)-
|
6549 |
Click to see
CC(=CCCC(C)(C=C)O)C
|
154.25 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Myrcene
|
31253 |
Click to see
CC(=CCCC(=C)C=C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
> 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/10.1055/S-2006-961452 |
p-CYMENE
|
7463 |
Click to see
CC1=CC=C(C=C1)C(C)C
|
134.22 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
(1R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene
|
6451618 |
Click to see
CC1=CCC2(C1C2)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
(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/10.1055/S-2006-961452 |
3-Carene
|
26049 |
Click to see
CC1=CCC2C(C1)C2(C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
alpha-PINENE
|
6654 |
Click to see
CC1=CCC2CC1C2(C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
beta-Pinene
|
14896 |
Click to see
CC1(C2CCC(=C)C1C2)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-
|
17868 |
Click to see
CC1=CCC2(C1C2)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Sabinen
|
18818 |
Click to see
CC(C)C12CCC(=C)C1C2
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
(+)-Menthone
|
443159 |
Click to see
CC1CCC(C(=O)C1)C(C)C
|
154.25 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl acetate
|
62335 |
Click to see
CC1CCC(C(C1)OC(=O)C)C(C)C
|
198.30 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
4-Terpineol, (+/-)-
|
11230 |
Click to see
CC1=CCC(CC1)(C(C)C)O
|
154.25 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
alpha-PHELLANDRENE
|
7460 |
Click to see
CC1=CCC(C=C1)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
alpha-Terpinene
|
7462 |
Click to see
CC1=CC=C(CC1)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Alpha-Terpineol
|
17100 |
Click to see
CC1=CCC(CC1)C(C)(C)O
|
154.25 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Beta-Phellandrene
|
11142 |
Click to see
CC(C)C1CCC(=C)C=C1
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Isomenthone, (+/-)-
|
6432469 |
Click to see
CC1CCC(C(=O)C1)C(C)C
|
154.25 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Limonene, (+/-)-
|
22311 |
Click to see
CC1=CCC(CC1)C(=C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Menthyl acetate
|
27867 |
Click to see
CC1CCC(C(C1)OC(=O)C)C(C)C
|
198.30 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
p-Menthan-3-one
|
6986 |
Click to see
CC1CCC(C(=O)C1)C(C)C
|
154.25 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Pulegone
|
442495 |
Click to see
CC1CCC(=C(C)C)C(=O)C1
|
152.23 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Terpinolene
|
11463 |
Click to see
CC1=CCC(=C(C)C)CC1
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
> 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/10.1055/S-2006-961452 |
(-)-beta-Curcumene
|
14014430 |
Click to see
CC1=CCC(=CC1)C(C)CCC=C(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
(+)-gamma-Cadinene
|
6432404 |
Click to see
CC1=CC2C(CC1)C(=C)CCC2C(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
(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/10.1055/S-2006-961452 |
(1R,4S,4aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
|
5315592 |
Click to see
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
|
222.37 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
(1S,5R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene
|
134779875 |
Click to see
CC1CCC(C2C13C2C(=CC3)C)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
(2R)-6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
|
6506009 |
Click to see
CC1=CCC(CC1)C(C)(CCC=C(C)C)O
|
222.37 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
(R)-beta-bisabolene
|
68128 |
Click to see
CC1=CCC(CC1)C(=C)CCC=C(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene
|
519346 |
Click to see
CC1=CC=C(C=C1)C2(CCCC2(C)C)C
|
202.33 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
1-Methyl-4-(6-methylhept-6-en-2-yl)cyclohexa-1,4-diene
|
5316213 |
Click to see
CC1=CCC(=CC1)C(C)CCCC(=C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
alpha-Bisabolol
|
10586 |
Click to see
CC1=CCC(CC1)C(C)(CCC=C(C)C)O
|
222.37 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
alpha-Cadinol
|
10398656 |
Click to see
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
|
222.37 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
alpha-Cubebene
|
442359 |
Click to see
CC1CCC(C2C13C2C(=CC3)C)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
alpha-Curcumene
|
92139 |
Click to see
CC1=CC=C(C=C1)C(C)CCC=C(C)C
|
202.33 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
beta-Bisabolene
|
10104370 |
Click to see
CC1=CCC(CC1)C(=C)CCC=C(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
beta-CARYOPHYLLENE OXIDE
|
1742210 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
beta-Cubebene
|
93081 |
Click to see
CC1CCC(C2C13C2C(=C)CC3)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Caryophyllene
|
5281515 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Caryophyllene epoxide
|
14350 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Cedrelanol
|
160799 |
Click to see
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
|
222.37 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
CID 16396350
|
16396350 |
Click to see
CC1(CCCC2(C3C1C(C2=C)CC3)C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Copaene
|
19725 |
Click to see
CC1=CCC2C3C1C2(CCC3C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Cubenol
|
11770062 |
Click to see
CC1CCC(C2C1(CCC(=C2)C)O)C(C)C
|
222.37 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Cuparene
|
86895 |
Click to see
CC1=CC=C(C=C1)C2(CCCC2(C)C)C
|
202.33 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
gamma-Cadinene
|
15094 |
Click to see
CC1=CC2C(CC1)C(=C)CCC2C(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Humulene
|
5281520 |
Click to see
CC1=CCC(C=CCC(=CCC1)C)(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Longifolene
|
289151 |
Click to see
CC1(CCCC2(C3C1C(C2=C)CC3)C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
|
(1aR,4R,4aR,7R,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol
|
91746597 |
Click to see
CC1CCC2C1C3C(C3(C)C)CCC2(C)O
|
222.37 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
(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/10.1055/S-2006-961452 |
(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/10.1055/S-2006-961452 |
Alloaromadendren
|
91746537 |
Click to see
CC1CCC2C1C3C(C3(C)C)CCC2=C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
alpha-Gurjunene
|
15560276 |
Click to see
CC1CCC2C(C2(C)C)C3=C(CCC13)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Globulol
|
101716 |
Click to see
CC1CCC2C1C3C(C3(C)C)CCC2(C)O
|
222.37 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Viridiflorol
|
11996452 |
Click to see
CC1CCC2C1C3C(C3(C)C)CCC2(C)O
|
222.37 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Viridiflorol (incomplete stereochemistry)
|
94174 |
Click to see
CC1CCC2C1C3C(C3(C)C)CCC2(C)O
|
222.37 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Bicyclogermacrane and isolepidozane sesquiterpenoids
|
(1S,2E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
|
44583886 |
Click to see
CC1=CCCC(=CC2C(C2(C)C)CC1)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Bicyclogermacrene
|
5315347 |
Click to see
CC1=CCCC(=CC2C(C2(C)C)CC1)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
|
beta-Elemol
|
20057139 |
Click to see
CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O
|
222.37 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
|
10-epi-gamma-Eudesmol
|
6430754 |
Click to see
CC1=C2CC(CCC2(CCC1)C)C(C)(C)O
|
222.37 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
alpha-Eudesmol
|
92762 |
Click to see
CC1=CCCC2(C1CC(CC2)C(C)(C)O)C
|
222.37 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
beta-EUDESMOL
|
91457 |
Click to see
CC12CCCC(=C)C1CC(CC2)C(C)(C)O
|
222.37 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
> 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/10.1055/S-2006-961452 |
Germacrene D
|
5317570 |
Click to see
CC1=CCCC(=C)C=CC(CC1)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
|
1-Octen-3-yl acetate
|
17121 |
Click to see
CCCCCC(C=C)OC(=O)C
|
170.25 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
|
Linalool, oxide
|
102611 |
Click to see
CC(=CCCC(C)(C1CO1)O)C
|
170.25 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
Pentacyclo[4.2.0.02,5.03,8.04,7]oct-2-en-1-ol
|
53436347 |
Click to see
C12C3C4C1C5(C2C3=C45)O
|
118.13 |
unknown |
https://doi.org/10.1055/S-2006-961452 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
|
3-Octanone
|
246728 |
Click to see
CCCCCC(=O)CC
|
128.21 |
unknown |
https://doi.org/10.1055/S-2006-961452 |