> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
|
Diethyl Phthalate
|
6781 |
Click to see
CCOC(=O)C1=CC=CC=C1C(=O)OCC
|
222.24 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters / o-Hydroxybenzoic acid esters
|
(111C)methyl 2-hydroxybenzoate
|
11378589 |
Click to see
COC(=O)C1=CC=CC=C1O
|
151.15 |
unknown |
via CMAUP database |
Ethyl salicylate
|
8365 |
Click to see
CCOC(=O)C1=CC=CC=C1O
|
166.17 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Cumenes
|
o-Cymene
|
10703 |
Click to see
CC1=CC=CC=C1C(C)C
|
134.22 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Phenylacetaldehydes
|
Phenylacetaldehyde
|
998 |
Click to see
C1=CC=C(C=C1)CC=O
|
120.15 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Toluenes
|
1-(4-Methylphenyl)ethanol
|
10817 |
Click to see
CC1=CC=C(C=C1)C(C)O
|
136.19 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Xylenes / p-Xylenes
|
P-Xylene
|
7809 |
Click to see
CC1=CC=C(C=C1)C
|
106.16 |
unknown |
via CMAUP database |
> Benzenoids / Phenol esters
|
2-Methoxy-4-vinylphenyl acetate
|
591597 |
Click to see
CC(=O)OC1=C(C=C(C=C1)C=C)OC
|
192.21 |
unknown |
via CMAUP database |
> Benzenoids / Phenols / Methoxyphenols
|
2-Methoxy-4-vinylphenol
|
332 |
Click to see
COC1=C(C=CC(=C1)C=C)O
|
150.17 |
unknown |
via CMAUP database |
4-Ethyl-2-methoxyphenol
|
62465 |
Click to see
CCC1=CC(=C(C=C1)O)OC
|
152.19 |
unknown |
via CMAUP database |
> Hydrocarbons / Saturated hydrocarbons / Alkanes
|
Pentacosane
|
12406 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCC
|
352.70 |
unknown |
via CMAUP database |
> Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons
|
9-Heneicosene
|
6115850 |
Click to see
CCCCCCCCCCCC=CCCCCCCCC
|
294.60 |
unknown |
via CMAUP database |
> Lignans, neolignans and related compounds / Lignan lactones
|
4-Desoxypicropodophyllotoxin
|
56841131 |
Click to see
COC1=CC(=C(C=C1C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O)OC)OC
|
398.40 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
|
Ethyl palmitate
|
12366 |
Click to see
CCCCCCCCCCCCCCCC(=O)OCC
|
284.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
Crepenynic acid
|
5281024 |
Click to see
CCCCCC#CCC=CCCCCCCCC(=O)O
|
278.40 |
unknown |
https://doi.org/10.1016/0031-9422(90)85452-L |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
|
trans-3-Hexen-1-ol
|
5284503 |
Click to see
CCC=CCCO
|
100.16 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
|
Ixoric acid
|
14583652 |
Click to see
CCCC=CC=CC=CC=CCCCCCCC(=O)O
|
276.40 |
unknown |
https://doi.org/10.1016/0031-9422(90)85452-L |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
Methyl dehydroabietate
|
14697 |
Click to see
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)OC)C
|
314.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Cembrane diterpenoids
|
1,5,9-Cyclotetradecatriene, 1,5,9-trimethyl-12-(1-methylethenyl)-
|
328947 |
Click to see
CC1=CCCC(=CCC(CCC(=CCC1)C)C(=C)C)C
|
272.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
3,7-Dimethyloct-6-en-3-ol
|
86749 |
Click to see
CCC(C)(CCC=C(C)C)O
|
156.26 |
unknown |
via CMAUP database |
Geraniol
|
637566 |
Click to see
CC(=CCCC(=CCO)C)C
|
154.25 |
unknown |
via CMAUP database |
Linalool, (-)-
|
443158 |
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 |
Nerol
|
643820 |
Click to see
CC(=CCCC(=CCO)C)C
|
154.25 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
(-)-Camphene
|
440966 |
Click to see
CC1(C2CCC(C2)C1=C)C
|
136.23 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
(+)-Neomenthol
|
439263 |
Click to see
CC1CCC(C(C1)O)C(C)C
|
156.26 |
unknown |
via CMAUP database |
Limonene, (-)-
|
439250 |
Click to see
CC1=CCC(CC1)C(=C)C
|
136.23 |
unknown |
via CMAUP database |
p-Menth-3-en-1-ol
|
11468 |
Click to see
CC(C)C1=CCC(CC1)(C)O
|
154.25 |
unknown |
via CMAUP database |
p-Mentha-1(7),8(10)-dien-9-ol
|
34627 |
Click to see
C=C1CCC(CC1)C(=C)CO
|
152.23 |
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
|
6,10,14-Trimethylpentadecan-2-one
|
10408 |
Click to see
CC(C)CCCC(C)CCCC(C)CCCC(=O)C
|
268.50 |
unknown |
via CMAUP database |
8alpha-3-Copaen-8-ol
|
577203 |
Click to see
CC1=CCC2C3C1C2(CC(C3C(C)C)O)C
|
220.35 |
unknown |
via CMAUP database |
> 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 |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Cedrane and isocedrane sesquiterpenoids
|
(1S,2R,8S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol
|
44123431 |
Click to see
CC1CCC2C13CCC(C(C3)C2(C)C)(C)O
|
222.37 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
|
(1S,4aS,7aS)-1-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4,7-dicarboxylic acid
|
157272401 |
Click to see
C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)C(=O)O
|
388.32 |
unknown |
https://doi.org/10.1016/0031-9422(75)85242-3 |
(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde
|
161786273 |
Click to see
CC1(CCC2C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O)O
|
360.36 |
unknown |
https://doi.org/10.1016/0031-9422(75)85242-3 |
Geniposidic acid
|
443354 |
Click to see
C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO
|
374.34 |
unknown |
via CMAUP database |
> 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 |
via CMAUP database |
Beta-Amyrin
|
73145 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C
|
426.70 |
unknown |
via CMAUP database |
Betulinic Acid
|
64971 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O
|
456.70 |
unknown |
via CMAUP database |
Friedelin
|
91472 |
Click to see
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C
|
426.70 |
unknown |
via CMAUP database |
Lanosta-7,24-dienol
|
12302189 |
Click to see
CC(CCC=C(C)C)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C
|
426.70 |
unknown |
via CMAUP database |
Lupeol
|
259846 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
via CMAUP database |
Stigmasterol
|
5280794 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carbothioic S-acids
|
Pentadecanethioic acid
|
18413781 |
Click to see
CCCCCCCCCCCCCCC(=O)S
|
258.50 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds
|
Heptylidyneoxidanium
|
53630757 |
Click to see
[CH2-]CCCCCC#[O+]
|
112.17 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
|
11,12-Dihydroxyseychellane
|
610068 |
Click to see
CC1CCC2(C3(C1CC(C2(CO)O)CC3)C)C
|
238.37 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
|
2,4-Decadienal
|
5283349 |
Click to see
CCCCCC=CC=CC=O
|
152.23 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones
|
6-Methyl-3,5-heptadien-2-one
|
5370101 |
Click to see
CC(=CC=CC(=O)C)C
|
124.18 |
unknown |
via CMAUP database |
Damascenone
|
5366074 |
Click to see
CC=CC(=O)C1=C(C=CCC1(C)C)C
|
190.28 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
|
2(1H)-Naphthalenone, 3,4,4a,5,6,7-hexahydro-1,1,4a-trimethyl-
|
535380 |
Click to see
CC1(C(=O)CCC2(C1=CCCC2)C)C
|
192.30 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
|
2-Tridecanone
|
11622 |
Click to see
CCCCCCCCCCCC(=O)C
|
198.34 |
unknown |
via CMAUP database |
6-Methyl-5-hepten-2-one
|
9862 |
Click to see
CC(=CCCC(=O)C)C
|
126.20 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Enolates
|
Hept-1-en-2-olate
|
53630862 |
Click to see
C=C(CCCC[CH2+])[O-]
|
112.17 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones
|
1,5-Dihydroxy-6,7-dimethoxyxanthone
|
101631689 |
Click to see
COC1=C(C(=C2C(=C1)C(=O)C3=C(C=CC=C3O2)O)O)OC
|
288.25 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones / Pyranoxanthones
|
Brasilixanthone B
|
5324261 |
Click to see
CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C=C(C5=C4C=CC(O5)(C)C)O)C
|
392.40 |
unknown |
via CMAUP database |
Brasillixanthone
|
11668301 |
Click to see
CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=C(C(=C4)O)OC(C=C5)(C)C)O)C
|
392.40 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Epoxides
|
2,3-Epoxy-3,7-dimethyloct-6-enol
|
530403 |
Click to see
CC(=CCCC1(C(O1)CO)C)C
|
170.25 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Isobenzofurans
|
Tetrahydrophthalic anhydride
|
6810 |
Click to see
C1C=CCC2C1C(=O)OC2=O
|
152.15 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Lactones / Delta valerolactones
|
6-[2-(2,6-Dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]-4-hydroxyoxan-2-one
|
9948413 |
Click to see
CC1CCC2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O
|
304.40 |
unknown |
https://doi.org/10.1016/0031-9422(90)85452-L |
> Organoheterocyclic compounds / Oxanes
|
2,6,6-Trimethyl-2-vinyltetrahydropyran
|
522514 |
Click to see
CC1(CCCC(O1)(C)C=C)C
|
154.25 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Pyrans
|
Nerol oxide
|
61275 |
Click to see
CC1=CCOC(C1)C=C(C)C
|
152.23 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Isoflavonoids / Furanoisoflavonoids / Pterocarpans
|
(6aR,11aR)-9-hydroxy-3-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-2-carbaldehyde
|
12051845 |
Click to see
COC1=CC2=C(C=C1C=O)C3C(CO2)C4=C(O3)C=C(C=C4)O
|
298.29 |
unknown |
https://doi.org/10.1016/0031-9422(90)85452-L |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
|
Genistein(1-)
|
25201420 |
Click to see
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)[O-])O)O
|
269.23 |
unknown |
via CMAUP database |