> Benzenoids / Phenol esters
|
[(2R)-2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylpropanoate
|
25837754 |
Click to see
CC1=CC(=C(C=C1)C2(CO2)COC(=O)C(C)C)OC(=O)C(C)C
|
320.40 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
|
(4R)-4-[(1S,2R)-1-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-en-2-yl]-3-methylideneoxan-2-one
|
163000332 |
Click to see
C=CC(C1CCOC(=O)C1=C)C(O)OC2C(C(C(C(O2)CO)O)O)O
|
360.36 |
unknown |
https://doi.org/10.1021/NP800291D |
4-[1-Hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-en-2-yl]-3-methylideneoxan-2-one
|
163000331 |
Click to see
C=CC(C1CCOC(=O)C1=C)C(O)OC2C(C(C(C(O2)CO)O)O)O
|
360.36 |
unknown |
https://doi.org/10.1021/NP800291D |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
|
(3E,6E)-2,6-Dimethyl-8-acetoxy-3,6-octadien-2-ol
|
14191351 |
Click to see
CC(=CCOC(=O)C)CC=CC(C)(C)O
|
212.28 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
|
(E,R)-3,7-Dimethylocta-2,7-diene-1,6-diol
|
11229042 |
Click to see
CC(=C)C(CCC(=CCO)C)O
|
170.25 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-2-(4-oxopentyl)cyclohexan-1-one
|
11172838 |
Click to see
CC(=O)CCCC1(CCC(CC1=O)C(C)(C)O)C
|
254.36 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
|
2-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
|
11876195 |
Click to see
CC12CCCC(C1CC(CC2)C(=C)C(=O)O)(C)O
|
252.35 |
unknown |
via CMAUP database |
5alpha-Hydroxycostic acid
|
14705651 |
Click to see
CC12CCCC(=C)C1(CC(CC2)C(=C)C(=O)O)O
|
250.33 |
unknown |
via CMAUP database |
5beta-Hydroxycostic acid
|
637286 |
Click to see
CC12CCCC(=C)C1(CC(CC2)C(=C)C(=O)O)O
|
250.33 |
unknown |
via CMAUP database |
ent-Intermedeol
|
6566044 |
Click to see
CC(=C)C1CCC2(CCCC(C2C1)(C)O)C
|
222.37 |
unknown |
via CMAUP database |
methyl 2-[(2R,4aS)-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl]prop-2-enoate
|
13819153 |
Click to see
CC1=C2CC(CCC2(CCC1=O)C)C(=C)C(=O)OC
|
262.34 |
unknown |
via CMAUP database |
Pterodonoic acid
|
11054003 |
Click to see
CC1=C2CC(CCC2(CCC1=O)C)C(=C)C(=O)O
|
248.32 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
|
beta-D-Glucopyranoside, 5-methyl-2-(1-methylethyl)phenyl
|
88687 |
Click to see
CC1=CC(=C(C=C1)C(C)C)OC2C(C(C(C(O2)CO)O)O)O
|
312.36 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
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 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
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 / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
|
Acetic acid 3-methyl-5-[(R)-3,3-dimethyloxiranyl]-2-pentenyl ester
|
12701271 |
Click to see
CC(=CCOC(=O)C)CCC1C(O1)(C)C
|
212.28 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclic alcohols and derivatives
|
2-[(3S,3aR,5R,7aS)-3a-acetyl-3-hydroxy-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-5-yl]prop-2-enoic acid
|
189528 |
Click to see
CC(=O)C12CC(CCC1(CCC2O)C)C(=C)C(=O)O
|
266.33 |
unknown |
via CMAUP database |
Jasonone
|
10943421 |
Click to see
CC1CC(=O)CCC2(C1CCC2O)C
|
196.29 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
|
7alpha-(1-Hydroxy-1-methylethyl)-9aalpha-methyl-1,2,4,6,7,8,9,9a-octahydro-5H-cyclopentacycloocten-5-one
|
11031886 |
Click to see
CC12CCC=C1CC(=O)CC(CC2)C(C)(C)O
|
236.35 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
|
Gentiopicrin
|
88708 |
Click to see
C=CC1C(OC=C2C1=CCOC2=O)OC3C(C(C(C(O3)CO)O)O)O
|
356.32 |
unknown |
https://doi.org/10.1021/NP800291D |
Sweroside
|
161036 |
Click to see
C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O
|
358.34 |
unknown |
https://doi.org/10.1021/NP800291D |
Swertiamarin
|
442435 |
Click to see
C=CC1C(OC=C2C1(CCOC2=O)O)OC3C(C(C(C(O3)CO)O)O)O
|
374.34 |
unknown |
https://doi.org/10.1021/NP800291D |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
|
Teuhetenone A
|
15153216 |
Click to see
CC12CCCC(C1=CC(=O)CC2)(C)O
|
194.27 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Lactones / Delta valerolactones
|
(1S,6R,9R)-6-methyl-2,10-dimethylidene-12-oxatricyclo[7.3.1.01,6]tridecan-11-one
|
11020766 |
Click to see
CC12CCCC(=C)C13CC(CC2)C(=C)C(=O)O3
|
232.32 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives / Dihydropyranones
|
(1S)-1-methyl-3-oxo-1H-pyrano[3,4-c]pyran-4-carbaldehyde
|
163024099 |
Click to see
CC1C2=COC=CC2=C(C(=O)O1)C=O
|
192.17 |
unknown |
https://doi.org/10.1021/NP800291D |
Fagraldehyde
|
25147622 |
Click to see
CC1C2=COC=CC2=C(C(=O)O1)C=O
|
192.17 |
unknown |
https://doi.org/10.1021/NP800291D |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
Patuletin
|
5281678 |
Click to see
COC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O
|
332.26 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
|
Quercetin 3,3'-dimethyl ether
|
5316900 |
Click to see
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)O
|
330.29 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 4-O-methylated flavonoids
|
Quercetin 3,4'-dimethyl ether
|
5380905 |
Click to see
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)O
|
330.29 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 6-O-methylated flavonoids
|
Centaureidin
|
5315773 |
Click to see
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O
|
360.30 |
unknown |
via CMAUP database |
Jaceidin
|
5464461 |
Click to see
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O
|
360.30 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
4'-Hydroxy-3,5,6,7,3'-pentamethoxyflavone
|
14376231 |
Click to see
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)O
|
388.40 |
unknown |
via CMAUP database |
Artemetin
|
5320351 |
Click to see
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC
|
388.40 |
unknown |
via CMAUP database |
Casticin
|
5315263 |
Click to see
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O
|
374.30 |
unknown |
via CMAUP database |
chrysoplenol D
|
5280699 |
Click to see
COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)OC
|
360.30 |
unknown |
via CMAUP database |
Chrysosplenetin
|
5281608 |
Click to see
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O
|
374.30 |
unknown |
via CMAUP database |
Hexamethylquercetagetin
|
386331 |
Click to see
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)OC
|
402.40 |
unknown |
via CMAUP database |
Pachypodol
|
5281677 |
Click to see
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)OC)O
|
344.30 |
unknown |
via CMAUP database |
Penduletin
|
5320462 |
Click to see
COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)OC
|
344.30 |
unknown |
via CMAUP database |
Velutin
|
5464381 |
Click to see
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)OC)O
|
314.29 |
unknown |
via CMAUP database |