> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
|
Vanillic Acid
|
8468 |
Click to see
COC1=C(C=CC(=C1)C(=O)O)O
|
168.15 |
unknown |
https://doi.org/10.1021/NP200780M |
> Hydrocarbons / Saturated hydrocarbons / Alkanes
|
Eicosane
|
8222 |
Click to see
CCCCCCCCCCCCCCCCCCCC
|
282.50 |
unknown |
https://doi.org/10.1021/NP200780M |
> Lignans, neolignans and related compounds / Lignan glycosides
|
Tracheloside
|
169511 |
Click to see
COC1=C(C=C(C=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)O)OC
|
550.60 |
unknown |
https://doi.org/10.1021/NP200780M |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
|
Azelaic Acid
|
2266 |
Click to see
C(CCCC(=O)O)CCCC(=O)O
|
188.22 |
unknown |
https://doi.org/10.1021/NP200780M |
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
|
(+/-)-9-Hydroxyoctadeca-10E,12Z,dienoic acid
|
134689021 |
Click to see
CCCCCC=CC=CC(CCCCCCCC(=O)O)O
|
296.40 |
unknown |
https://doi.org/10.1021/NP200780M |
(9Z,11Z)-9,11-Octadecadienoic acid
|
5282795 |
Click to see
CCCCCCC=CC=CCCCCCCCC(=O)O
|
280.40 |
unknown |
https://doi.org/10.1021/NP200780M |
13-keto-9Z,11E-octadecadienoic acid
|
6446027 |
Click to see
CCCCCC(=O)C=CC=CCCCCCCCC(=O)O
|
294.40 |
unknown |
https://doi.org/10.1021/NP200780M |
13-Oxooctadeca-9,11-dienoic acid
|
160205 |
Click to see
CCCCCC(=O)C=CC=CCCCCCCCC(=O)O
|
294.40 |
unknown |
https://doi.org/10.1021/NP200780M |
13-OxoODE
|
5283012 |
Click to see
CCCCCC(=O)C=CC=CCCCCCCCC(=O)O
|
294.40 |
unknown |
https://doi.org/10.1021/NP200780M |
9-hydroxy-10E,12Z-octadecadienoic acid
|
5282944 |
Click to see
CCCCCC=CC=CC(CCCCCCCC(=O)O)O
|
296.40 |
unknown |
https://doi.org/10.1021/NP200780M |
9-Hydroxyoctadeca-10,12-dienoic acid
|
1927 |
Click to see
CCCCCC=CC=CC(CCCCCCCC(=O)O)O
|
296.40 |
unknown |
https://doi.org/10.1021/NP200780M |
9,12-Octadecadienoic acid
|
3931 |
Click to see
CCCCCC=CCC=CCCCCCCCC(=O)O
|
280.40 |
unknown |
https://doi.org/10.1021/NP200780M |
9R-hydroxy-10E,12Z-octadecadienoic acid
|
16061059 |
Click to see
CCCCCC=CC=CC(CCCCCCCC(=O)O)O
|
296.40 |
unknown |
https://doi.org/10.1021/NP200780M |
Clarinol
|
74607 |
Click to see
CCCCCCC=CC=CCCCCCCCC(=O)O
|
280.40 |
unknown |
https://doi.org/10.1021/NP200780M |
Linoleic Acid
|
5280450 |
Click to see
CCCCCC=CCC=CCCCCCCCC(=O)O
|
280.40 |
unknown |
https://doi.org/10.1021/NP200780M |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
|
(2S,3R,4S,5R,6R)-2-[2-[(3R,5R,6R,9R)-9-hydroperoxy-6-methyl-10-methylidenespiro[4.5]decan-3-yl]propan-2-yloxy]-6-methyloxane-3,4,5-triol
|
162942409 |
Click to see
CC1CCC(C(=C)C12CCC(C2)C(C)(C)OC3C(C(C(C(O3)C)O)O)O)OO
|
400.50 |
unknown |
https://doi.org/10.1021/NP200780M |
(2S,3R,4S,5R,6R)-2-[2-[(3R,5R,6R,9R)-9-hydroxy-6-methyl-10-methylidenespiro[4.5]decan-3-yl]propan-2-yloxy]-6-methyloxane-3,4,5-triol
|
162852122 |
Click to see
CC1CCC(C(=C)C12CCC(C2)C(C)(C)OC3C(C(C(C(O3)C)O)O)O)O
|
384.50 |
unknown |
https://doi.org/10.1021/NP200780M |
(2S,3R,4S,5R,6R)-2-[2-[(3S,5S,6R)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-yloxy]-6-methyloxane-3,4,5-triol
|
162994350 |
Click to see
CC1CCC=C(C12CCC(C2)C(C)(C)OC3C(C(C(C(O3)C)O)O)O)C
|
368.50 |
unknown |
https://doi.org/10.1021/NP200780M |
(2S,3S,4S,5R,6S)-2-[2-[(3R,5S,6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-yloxy]-6-methyloxane-3,4,5-triol
|
162994352 |
Click to see
CC1CCC=C(C12CCC(C2)C(C)(C)OC3C(C(C(C(O3)C)O)O)O)C
|
368.50 |
unknown |
https://doi.org/10.1002/CBER.19761091224 |
(3R,5R,6R)-6-methyl-10-methylidene-3-[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropan-2-yl]spiro[4.5]decan-9-one
|
163030185 |
Click to see
CC1CCC(=O)C(=C)C12CCC(C2)C(C)(C)OC3C(C(C(C(O3)C)O)O)O
|
382.50 |
unknown |
https://doi.org/10.1021/NP200780M |
2-[2-(6,10-Dimethylspiro[4.5]dec-9-en-3-yl)propan-2-yloxy]-6-methyloxane-3,4,5-triol
|
77916082 |
Click to see
CC1CCC=C(C12CCC(C2)C(C)(C)OC3C(C(C(C(O3)C)O)O)O)C
|
368.50 |
unknown |
https://doi.org/10.1002/CBER.19761091224 |
rel-(2R,5S,10S)-6,10-Dimethyl-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]dec-6-en-8-one
|
56834286 |
Click to see
CC1CC(=O)C=C(C12CCC(C2)C(C)(C)OC3C(C(C(C(O3)C)O)O)O)C
|
382.50 |
unknown |
https://doi.org/10.1021/NP200780M |
rel-(4S,5S,7R)-1,4-Dimethyl-7-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.4]non-1-ene-2-carbaldehyde
|
56834287 |
Click to see
CC1CC(=C(C12CCC(C2)C(C)(C)OC3C(C(C(C(O3)C)O)O)O)C)C=O
|
382.50 |
unknown |
https://doi.org/10.1021/NP200780M |
> Organic acids and derivatives / Hydroxy acids and derivatives / Medium-chain hydroxy acids and derivatives
|
(2Z,4R)-hydroxynon-2-enoic acid
|
70698095 |
Click to see
CCCCCC(C=CC(=O)O)O
|
172.22 |
unknown |
https://doi.org/10.1021/NP200780M |
(4R)-4-hydroxynon-2-enoic acid
|
163052973 |
Click to see
CCCCCC(C=CC(=O)O)O
|
172.22 |
unknown |
https://doi.org/10.1021/NP200780M |
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
|
3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
|
14132336 |
Click to see
COC1=C(C=CC(=C1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O
|
330.29 |
unknown |
https://doi.org/10.1021/NP200780M |
4-(beta-D-Glucopyranosyloxy)-3-methoxybenzoic acid
|
14132337 |
Click to see
COC1=C(C=CC(=C1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O
|
330.29 |
unknown |
https://doi.org/10.1021/NP200780M |