> Benzenoids / Phenols / Tyrosols and derivatives
|
4-Hydroxyphenethyl tetradecanoate
|
11848618 |
Click to see
CCCCCCCCCCCCCC(=O)OCCC1=CC=C(C=C1)O
|
348.50 |
unknown |
https://doi.org/10.1055/S-0029-1234988 https://doi.org/10.1021/NP800721F |
> Benzenoids / Tetralins
|
methyl 3-(1-methyl-6-propan-2-yl-2-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-yl)propanoate
|
56674197 |
Click to see
CC(C)C1=CC2=C(C=C1)C(C(CC2)C(=C)C)(C)CCC(=O)OC
|
314.50 |
unknown |
https://doi.org/10.1021/NP800721F |
methyl 3-[(1S,2S)-1-methyl-6-propan-2-yl-2-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-yl]propanoate
|
25243666 |
Click to see
CC(C)C1=CC2=C(C=C1)C(C(CC2)C(=C)C)(C)CCC(=O)OC
|
314.50 |
unknown |
https://doi.org/10.1021/NP800721F |
> Lignans, neolignans and related compounds / Lignan lactones
|
2-(3',5'-Dimethoxy-4'-hydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octan-6-one
|
5315434 |
Click to see
COC1=CC(=CC(=C1O)OC)C2C3COC(=O)C3CO2
|
280.27 |
unknown |
https://doi.org/10.1021/NP800721F |
Zhebeiresinol
|
162969347 |
Click to see
COC1=CC(=CC(=C1O)OC)C2C3COC(=O)C3CO2
|
280.27 |
unknown |
https://doi.org/10.1021/NP800721F |
Zhepeiresinol
|
192547 |
Click to see
COC1=CC(=CC(=C1O)OC)C2C3COC(=O)C3CO2
|
280.27 |
unknown |
https://doi.org/10.1021/NP800721F https://doi.org/10.1055/S-0029-1234988 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
|
methyl 3-(1-methyl-6-propan-2-yl-2-prop-1-en-2-yl-3,4,7,8-tetrahydro-2H-naphthalen-1-yl)propanoate
|
56671114 |
Click to see
CC(C)C1=CC2=C(CC1)C(C(CC2)C(=C)C)(C)CCC(=O)OC
|
316.50 |
unknown |
https://doi.org/10.1021/NP800721F |
methyl 3-[(1S,2S)-1-methyl-6-propan-2-yl-2-prop-1-en-2-yl-3,4,7,8-tetrahydro-2H-naphthalen-1-yl]propanoate
|
25227579 |
Click to see
CC(C)C1=CC2=C(CC1)C(C(CC2)C(=C)C)(C)CCC(=O)OC
|
316.50 |
unknown |
https://doi.org/10.1021/NP800721F |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
Stearic Acid
|
5281 |
Click to see
CCCCCCCCCCCCCCCCCC(=O)O
|
284.50 |
unknown |
https://doi.org/10.1021/NP800721F |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
(4aS,10aR)-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
|
21632828 |
Click to see
CC(C)C1=CC2=C(C=C1)C3(CCC(=O)C(C3CC2)(C)C)C
|
284.40 |
unknown |
https://doi.org/10.1021/NP800721F |
1,4a-Dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
|
10018535 |
Click to see
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2=O)(C)C(=O)O)C
|
314.40 |
unknown |
https://doi.org/10.1021/NP800721F |
7-Dehydroabietanone
|
11289118 |
Click to see
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2=O)(C)C)C
|
284.40 |
unknown |
https://doi.org/10.1021/NP800721F |
7-Oxodehydroabietic acid
|
29212 |
Click to see
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2=O)(C)C(=O)O)C
|
314.40 |
unknown |
https://doi.org/10.1021/NP800721F |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(9-Acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methyl acetate
|
3129302 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)COC(=O)C
|
526.80 |
unknown |
https://doi.org/10.1021/NP800721F |
Squalene
|
638072 |
Click to see
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
|
410.70 |
unknown |
https://doi.org/10.1055/S-0029-1234988 https://doi.org/10.1021/NP800721F |
Super Squalene; trans-Squalene;AddaVax
|
1105 |
Click to see
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
|
410.70 |
unknown |
https://doi.org/10.1021/NP800721F |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
|
Anicequol
|
10413810 |
Click to see
CC(C)C(C)C=CC(C)C1C(CC2C1(CC(C3C2C(C(=O)C4C3(CCC(C4)O)C)O)O)C)OC(=O)C
|
504.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Hydroxysteroids
|
(1S,4aS,10aR)-1,4a-dimethyl-2-oxo-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-1-carboxylic acid
|
163053106 |
Click to see
CC(C)C1=CC2=C(C=C1)C3(CCC(=O)C(C3CC2)(C)C(=O)O)C
|
314.40 |
unknown |
https://doi.org/10.1021/NP800721F |
1,4a-dimethyl-2-oxo-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-1-carboxylic acid
|
163053105 |
Click to see
CC(C)C1=CC2=C(C=C1)C3(CCC(=O)C(C3CC2)(C)C(=O)O)C
|
314.40 |
unknown |
https://doi.org/10.1021/NP800721F |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-5-Ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
12314479 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1021/NP800721F |
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
86821 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1055/S-0029-1234988 |
24-Ethylcholest-5-en-3beta-ol
|
22012 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1055/S-0029-1234988 |
beta-Sitostenone
|
60123241 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1055/S-0029-1234988 |
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1021/NP800721F |
beta-Sitosterone
|
9801811 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(=O)C4)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1021/NP800721F |
Stigmast-4-en-3-one
|
5484202 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1021/NP800721F |
Stigmast-4-en-3-one, (24S)-
|
579897 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1021/NP800721F |
Stigmasterol
|
5280794 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1055/S-0029-1234988 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives
|
Aurantiamine
|
11358551 |
Click to see
CC(C)C1C(=O)NC(=CC2=C(NC=N2)C(C)(C)C=C)C(=O)N1
|
302.37 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acids
|
3-(1-methyl-6-propan-2-yl-2-prop-1-en-2-yl-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl)propanoic acid
|
56678050 |
Click to see
CC(C)C1=CC2=CCC(C(C2CC1)(C)CCC(=O)O)C(=C)C
|
302.50 |
unknown |
https://doi.org/10.1021/NP800721F |
3-[(1R,2S,8aR)-1-methyl-6-propan-2-yl-2-prop-1-en-2-yl-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl]propanoic acid
|
162844017 |
Click to see
CC(C)C1=CC2=CCC(C(C2CC1)(C)CCC(=O)O)C(=C)C
|
302.50 |
unknown |
https://doi.org/10.1021/NP800721F |
Callicarpic Acid A
|
25243667 |
Click to see
CC(C)C1=CC2=CCC(C(C2CC1)(C)CCC(=O)O)C(=C)C
|
302.50 |
unknown |
https://doi.org/10.1021/NP800721F https://doi.org/10.1055/S-0029-1234988 |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
|
3-(8a-Hydroxy-1-methyl-6-propan-2-yl-2-prop-1-en-2-yl-2,3,7,8-tetrahydronaphthalen-1-yl)propanoic acid
|
56671373 |
Click to see
CC(C)C1=CC2=CCC(C(C2(CC1)O)(C)CCC(=O)O)C(=C)C
|
318.40 |
unknown |
https://doi.org/10.1021/NP800721F |
9R-Hydroxycallicarpic Acid A
|
25243665 |
Click to see
CC(C)C1=CC2=CCC(C(C2(CC1)O)(C)CCC(=O)O)C(=C)C
|
318.40 |
unknown |
https://doi.org/10.1021/NP800721F |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
|
3-(1-methyl-5,8-dioxo-6-propan-2-yl-2-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-yl)propanoic acid
|
56664304 |
Click to see
CC(C)C1=CC(=O)C2=C(C1=O)CCC(C2(C)CCC(=O)O)C(=C)C
|
330.40 |
unknown |
https://doi.org/10.1021/NP800721F |
Callicarpic Acid B
|
25227580 |
Click to see
CC(C)C1=CC(=O)C2=C(C1=O)CCC(C2(C)CCC(=O)O)C(=C)C
|
330.40 |
unknown |
https://doi.org/10.1021/NP800721F https://doi.org/10.1055/S-0029-1234988 |
> Organoheterocyclic compounds / Benzodiazepines / 1,4-benzodiazepines
|
(14R)-2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),4,6,8,10,17,19,21-octaene-3,16-dione
|
92290113 |
Click to see
C1CC2=NC3=CC=CC=C3C(=O)N2C4=NC5=CC=CC=C5C(=O)NC41
|
330.30 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives
|
Verrucosidin
|
6437365 |
Click to see
CC1C2(C(O2)C(O1)(C)C=C(C)C=C(C)C3C(O3)(C)C4=C(C(=C(C(=O)O4)C)OC)C)C
|
416.50 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Pyrimidodiazepines
|
3-[(7S)-5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl]propanamide
|
86287613 |
Click to see
C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)NC(C3=N2)CCC(=O)N
|
348.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 4-O-methylated flavonoids
|
Acacetin
|
5280442 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
|
284.26 |
unknown |
https://doi.org/10.1055/S-0029-1234988 https://doi.org/10.1021/NP800721F |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
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 |
https://doi.org/10.1055/S-0029-1234988 https://doi.org/10.1021/NP800721F |
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 |
https://doi.org/10.1021/NP800721F https://doi.org/10.1055/S-0029-1234988 |
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 |
https://doi.org/10.1021/NP800721F |
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 |
https://doi.org/10.1055/S-0029-1234988 https://doi.org/10.1021/NP800721F |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 8-O-methylated flavonoids
|
3,5,6,7,8-Pentamethoxy-2-(2-methoxyphenyl)chromen-4-one
|
54135212 |
Click to see
COC1=CC=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC
|
402.40 |
unknown |
https://doi.org/10.1021/NP800721F |