> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
|
2-[(2~{S})-2-ethylhexoxy]carbonylbenzoic acid
|
45356267 |
Click to see
CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O
|
278.34 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
Diisobutyl phthalate
|
6782 |
Click to see
CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
|
278.34 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Benzenoids / Phenols / Methoxyphenols
|
Maesol
|
128958 |
Click to see
CC1=C(C=C(C=C1OC)CCCCCCCCCCCCC2=CC(=C(C(=C2)OC)C)O)O
|
442.60 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Hydrocarbons / Saturated hydrocarbons / Alkanes
|
Nonacosane
|
12409 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
|
408.80 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
Tetratriacontane
|
26519 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
|
478.90 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
|
1,3-Cyclopentadiene, 5,5-dimethyl-1-ethyl-
|
572141 |
Click to see
CCC1=CC=CC1(C)C
|
122.21 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
|
1-Eicosanol
|
12404 |
Click to see
CCCCCCCCCCCCCCCCCCCCO
|
298.50 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
|
9,12-Octadecadienoic Acid
|
3931 |
Click to see
CCCCCC=CCC=CCCCCCCCC(=O)O
|
280.40 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
Linoleic Acid
|
5280450 |
Click to see
CCCCCC=CCC=CCCCCCCCC(=O)O
|
280.40 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
(1S)-1-[(2S,4aS,4bR,8aS,10aS)-8a-hydroxy-2,4a,8,8-tetramethyl-1,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-2-yl]ethane-1,2-diol
|
163092381 |
Click to see
CC1(CCCC2C1(CCC3C2(CCC(C3)(C)C(CO)O)C)O)C
|
324.50 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
(2Z,3E)-2-ethylidene-6-methylhepta-3,5-dienal
|
102532162 |
Click to see
CC=C(C=CC=C(C)C)C=O
|
150.22 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
3,5-Heptadienal, 2-ethylidene-6-methyl-
|
572127 |
Click to see
CC=C(C=CC=C(C)C)C=O
|
150.22 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
3-Thujanone
|
11027 |
Click to see
CC1C2CC2(CC1=O)C(C)C
|
152.23 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
beta-Thujone
|
91456 |
Click to see
CC1C2CC2(CC1=O)C(C)C
|
152.23 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
Camphor
|
2537 |
Click to see
CC1(C2CCC1(C(=O)C2)C)C
|
152.23 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
Camphor (synthetic)
|
159055 |
Click to see
CC1(C2CCC1(C(=O)C2)C)C
|
152.23 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
Chrysanthenone
|
442463 |
Click to see
CC1=CCC2C(=O)C1C2(C)C
|
150.22 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
Thujone
|
261491 |
Click to see
CC1C2CC2(CC1=O)C(C)C
|
152.23 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
Verbenone
|
29025 |
Click to see
CC1=CC(=O)C2CC1C2(C)C
|
150.22 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
Verbenone, (+)-
|
65724 |
Click to see
CC1=CC(=O)C2CC1C2(C)C
|
150.22 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane
|
162882634 |
Click to see
CCC1CCC(=C(C)C)CC1CC
|
180.33 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
alpha-Bulnesene
|
520826 |
Click to see
CC1CCC2=C(CCC(CC12)C(=C)C)C
|
204.35 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)-
|
26318 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
Caryophyllene
|
5281515 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
Delta-Guaiene
|
94275 |
Click to see
CC1CCC2=C(CCC(CC12)C(=C)C)C
|
204.35 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
|
(+)-Aromadendrene
|
11095734 |
Click to see
CC1CCC2C1C3C(C3(C)C)CCC2=C
|
204.35 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
(1aR,4aR,7S,7aS,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
|
44584667 |
Click to see
CC1CCC2C1C3C(C3(C)C)CCC2=C
|
204.35 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
1H-Cycloprop[e]azulene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, [1aR-(1aalpha,7alpha,7abeta,7balpha)]-
|
6432243 |
Click to see
CC1CCC2=C(CCC3C(C12)C3(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
Aromadendrene
|
91354 |
Click to see
CC1CCC2C1C3C(C3(C)C)CCC2=C
|
204.35 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
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(3R,4aS,5R)-4a,5-dimethyl-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
|
101603267 |
Click to see
CC1CCC=C2C1(CC(CC2)C(C)C)C
|
206.37 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Pseudoguaianes
|
Ambrosane
|
6857480 |
Click to see
CC1CCC(CC2(C1CCC2)C)C(C)C
|
208.38 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
|
(3aR,6E,10E)-3abeta,4,5,8,9,11aalpha-Hexahydro-6-formyl-4beta-hydroxy-3beta,10-dimethylcyclodeca[b]furan-2(3H)-one
|
14757787 |
Click to see
CC1C2C(CC(=CCCC(=CC2OC1=O)C)C=O)O
|
264.32 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins / Cucurbitacin glycosides
|
2-(hydroxymethyl)-6-[[3-hydroxy-4,4,9,13,14-pentamethyl-17-[6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]oxane-3,4,5-triol
|
76449902 |
Click to see
CC(CC(C=C(C)C)OC1C(C(C(C(O1)CO)O)O)O)C2CCC3(C2(CCC4(C3C(C=C5C4CCC(C5(C)C)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)C
|
783.00 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
|
CID 94813
|
94813 |
Click to see
CCCCOC(=O)CC(=CC(=O)OCCCC)C(=O)OCCCC
|
342.40 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
Tributyl (E)-Aconitate
|
6538445 |
Click to see
CCCCOC(=O)CC(=CC(=O)OCCCC)C(=O)OCCCC
|
342.40 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
Tributyl citrate
|
6507 |
Click to see
CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O
|
360.40 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Organic oxygen compounds / Organic oxides
|
(3S,3aR)-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-indene-1-carbaldehyde
|
130753884 |
Click to see
CC1CC(=C2C1CCC(=C2)C)C=O
|
176.25 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
|
(3aR,7aR)-2-prop-2-enyl-3a,4,5,6,7,7a-hexahydroinden-1-one
|
13976022 |
Click to see
C=CCC1=CC2CCCCC2C1=O
|
176.25 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |
> Organoheterocyclic compounds / Oxanes
|
Eucalyptol
|
2758 |
Click to see
CC1(C2CCC(O1)(CC2)C)C
|
154.25 |
unknown |
https://doi.org/10.1007/S10600-011-0044-9 |