> Benzenoids / Benzene and substituted derivatives / Cumenes
|
4-Isopropylphenol
|
7465 |
Click to see
CC(C)C1=CC=C(C=C1)O
|
136.19 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
> Benzenoids / Phenol ethers / Anisoles
|
Anethole
|
637563 |
Click to see
CC=CC1=CC=C(C=C1)OC
|
148.20 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
Methoxy-4-propenylbenzene
|
7703 |
Click to see
CC=CC1=CC=C(C=C1)OC
|
148.20 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
> 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-2006-962640 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
|
2-[3-Oxo-2-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
|
4480898 |
Click to see
C1CC(=O)C(C1CC(=O)O)CC=CCCOC2C(C(C(C(O2)CO)O)O)O
|
388.40 |
unknown |
https://doi.org/10.1021/JF904596M |
Tuberonic acid glucoside
|
5281204 |
Click to see
C1CC(=O)C(C1CC(=O)O)CC=CCCOC2C(C(C(C(O2)CO)O)O)O
|
388.40 |
unknown |
https://doi.org/10.1021/JF904596M |
> 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-2006-962640 |
3-Octanol
|
11527 |
Click to see
CCCCCC(CC)O
|
130.23 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives / Jasmonic acids
|
(-)-12-Hydroxyjasmonic acid
|
69604805 |
Click to see
C1CC(=O)C(C1CC(=O)O)CC=CCCO
|
226.27 |
unknown |
https://doi.org/10.1021/JF904596M |
12-Hydroxyjasmonic acid
|
5497122 |
Click to see
C1CC(=O)C(C1CC(=O)O)CC=CCCO
|
226.27 |
unknown |
https://doi.org/10.1021/JF904596M |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
Linalool, (+/-)-
|
6549 |
Click to see
CC(=CCCC(C)(C=C)O)C
|
154.25 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
Myrcene
|
31253 |
Click to see
CC(=CCCC(=C)C=C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
> 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-2006-962640 |
Carvacrol methyl ether
|
80790 |
Click to see
CC1=C(C=C(C=C1)C(C)C)OC
|
164.24 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
p-CYMENE
|
7463 |
Click to see
CC1=CC=C(C=C1)C(C)C
|
134.22 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
Thymol
|
6989 |
Click to see
CC1=CC(=C(C=C1)C(C)C)O
|
150.22 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
(1R,4S,5R)-4-Thujanol
|
12315154 |
Click to see
CC(C)C12CCC(C1C2)(C)O
|
154.25 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
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/10.1055/S-2006-962640 |
4,6,6-Trimethyl-3-[2,6,6-trimethyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)-3-bicyclo[3.1.1]hept-1-enyl]bicyclo[3.1.1]hept-4-en-2-ol
|
56924154 |
Click to see
CC1=C2CC(C2(C)C)CC1C3(CC4CC(=C3C)C4(C)C)C5C(C6CC(=C5C)C6(C)C)O
|
420.70 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
alpha-PINENE
|
6654 |
Click to see
CC1=CCC2CC1C2(C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
beta-Pinene
|
14896 |
Click to see
CC1(C2CCC(=C)C1C2)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
Camphene
|
6616 |
Click to see
CC1(C2CCC(C2)C1=C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
CID 44630107
|
44630107 |
Click to see
CC1(C2CCC1(C(C2)O)C)C
|
154.25 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
Sabinene hydrate
|
62367 |
Click to see
CC(C)C12CCC(C1C2)(C)O
|
154.25 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
alpha-Terpinene
|
7462 |
Click to see
CC1=CC=C(CC1)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
Carvone, (+)-
|
16724 |
Click to see
CC1=CCC(CC1=O)C(=C)C
|
150.22 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
Carvone, (+/-)-
|
7439 |
Click to see
CC1=CCC(CC1=O)C(=C)C
|
150.22 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
Limonene, (+/-)-
|
22311 |
Click to see
CC1=CCC(CC1)C(=C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
Terpinolene
|
11463 |
Click to see
CC1=CCC(=C(C)C)CC1
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(+)-Gamma-cadinene
|
6432404 |
Click to see
CC1=CC2C(CC1)C(=C)CCC2C(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
(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-2006-962640 |
8-Isopropyl-2,5-dimethyl-1,2,3,4-tetrahydronaphthalene
|
518975 |
Click to see
CC1CCC2=C(C=CC(=C2C1)C(C)C)C
|
202.33 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
beta-CARYOPHYLLENE OXIDE
|
1742210 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
Caryophyllene
|
5281515 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
Caryophyllene epoxide
|
14350 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
Caryophyllene,alpha + beta mixt.
|
5354499 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
Copaene
|
19725 |
Click to see
CC1=CCC2C3C1C2(CCC3C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
gamma-Bisabolene, (Z)-
|
3033866 |
Click to see
CC1=CCC(=C(C)CCC=C(C)C)CC1
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
gamma-Cadinene
|
15094 |
Click to see
CC1=CC2C(CC1)C(=C)CCC2C(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-962640 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(1R,2S,3R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(hydroxymethyl)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-3,10-diol
|
162991984 |
Click to see
CC1C(C2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1O)CO)C)C)(C)C)O)C)C
|
458.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)85522-3 |
(3R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
|
293273 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)CO
|
442.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)85522-3 |
3-Hydroxyolean-12-en-28-oic acid
|
619166 |
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/10.1016/S0031-9422(00)85522-3 |
4a-(hydroxymethyl)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-3,10-diol
|
162991983 |
Click to see
CC1C(C2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1O)CO)C)C)(C)C)O)C)C
|
458.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)85522-3 |
beta-Ursolic acid
|
220774 |
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/10.1016/J.FITOTE.2007.02.005 https://doi.org/10.1016/S0031-9422(00)85522-3 |
methyl (1R,2S,3R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
|
21672624 |
Click to see
CC1C(C2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1O)C(=O)OC)C)C)(C)C)O)C)C
|
486.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)85522-3 |
methyl (3R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
21594152 |
Click to see
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1O)C(=O)OC)C)C)(C)C)O)C)C
|
486.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)85522-3 |
methyl 3,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
|
14138174 |
Click to see
CC1C(C2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1O)C(=O)OC)C)C)(C)C)O)C)C
|
486.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)85522-3 |
Methyl 3,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
5319157 |
Click to see
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1O)C(=O)OC)C)C)(C)C)O)C)C
|
486.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)85522-3 |
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/10.1016/S0031-9422(00)85522-3 |
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/10.1016/J.FITOTE.2007.02.005 https://doi.org/10.1016/S0031-9422(00)85522-3 |
Uvaol
|
92802 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)CO
|
442.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)85522-3 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzoquinones / P-benzoquinones
|
Thymoquinone
|
10281 |
Click to see
CC1=CC(=O)C(=CC1=O)C(C)C
|
164.20 |
unknown |
https://doi.org/10.1021/JF904596M |
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / Purinethiones
|
Mercaptopurine
|
667490 |
Click to see
C1=NC2=C(N1)C(=S)N=CN2
|
152.18 |
unknown |
https://doi.org/10.1016/J.FITOTE.2007.02.005 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
|
(S)-rosmarinic acid
|
639655 |
Click to see
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
|
360.30 |
unknown |
https://doi.org/10.1021/JF904596M |
3-(3,4-Dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid
|
5099 |
Click to see
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
|
360.30 |
unknown |
https://doi.org/10.1021/JF904596M |
Methyl 3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoate
|
76511959 |
Click to see
COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O
|
374.30 |
unknown |
https://doi.org/10.1021/JF904596M |
Methyl Rosmarinate
|
6479915 |
Click to see
COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O
|
374.30 |
unknown |
https://doi.org/10.1021/JF904596M |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
|
3,4-Dihydroxy cinnamic acid
|
2518 |
Click to see
C1=CC(=C(C=C1C=CC(=O)O)O)O
|
180.16 |
unknown |
https://doi.org/10.1021/JF904596M |
Caffeic Acid
|
689043 |
Click to see
C1=CC(=C(C=C1C=CC(=O)O)O)O
|
180.16 |
unknown |
https://doi.org/10.1021/JF904596M |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
|
(+/-)-Eriodictyol
|
11095 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
|
288.25 |
unknown |
https://doi.org/10.1021/JF904596M |
5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
|
932 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
|
272.25 |
unknown |
https://doi.org/10.1021/JF904596M |
Eriodictyol
|
440735 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
|
288.25 |
unknown |
https://doi.org/10.1021/JF904596M |
Naringenin
|
439246 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
|
272.25 |
unknown |
https://doi.org/10.1021/JF904596M |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones / Flavanonols
|
(+/-)-Taxifolin
|
471 |
Click to see
C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
|
304.25 |
unknown |
https://doi.org/10.1021/JF904596M |
Taxifolin
|
439533 |
Click to see
C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
|
304.25 |
unknown |
https://doi.org/10.1021/JF904596M |
> Phenylpropanoids and polyketides / Flavonoids / Flavones
|
Apigenin
|
5280443 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
|
270.24 |
unknown |
https://doi.org/10.1021/JF904596M |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
Kaempferol
|
5280863 |
Click to see
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
|
286.24 |
unknown |
https://doi.org/10.1021/JF904596M |
Quercetin
|
5280343 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
|
302.23 |
unknown |
https://doi.org/10.1021/JF904596M |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
Apigenin 7,4'-dimethyl ether
|
5281601 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O
|
298.29 |
unknown |
https://doi.org/10.1016/S0031-9422(00)85522-3 |