Chemical Formula: C18H28O3
Chemical Formula C18H28O3
Found 191 metabolite its formula value is C18H28O3
12-oxo-PDA
12-oxo-pda, also known as (15z)-12-oxophyto-10,15-dienoate or 12-oxo-10,15(Z)-phytodienoic acid, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. Thus, 12-oxo-pda is considered to be an octadecanoid lipid molecule. 12-oxo-pda is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 12-oxo-pda can be found in corn, which makes 12-oxo-pda a potential biomarker for the consumption of this food product. D006133 - Growth Substances > D010937 - Plant Growth Regulators
FA 18:4;O
A long-chain, divinyl ether fatty acid composed of 8-nonenoic acid in which the E-hydrogen at position 9 is substituted by a (1E,3Z,6Z)-nona-1,3,6-trien-1-yloxy group.
(2'E,4'Z,7'Z,8E)-Colnelenic acid
Product of enzymic oxidation of potato lipids. (2E,4Z,7Z,8E)-Colnelenic acid is found in alcoholic beverages and potato. (2E,4Z,7Z,8E)-Colnelenic acid is found in alcoholic beverages. Product of enzymic oxidation of potato lipid
Panaquinquecol 1
Panaquinquecol 1 is found in tea. Panaquinquecol 1 is found in American ginseng (Panax quinquefolium). Found in American ginseng (Panax quinquefolium)
[7]-Paradol
Constituent of Amomum melegueta (grains of paradise). [7]-Paradol is found in alcoholic beverages, herbs and spices, and ginger. [7]-Paradol is found in alcoholic beverages. [7]-Paradol is a constituent of Amomum melegueta (grains of paradise).
Methyl [6]-paradol
Methyl [6]-paradol is a member of the class of compounds known as dimethoxybenzenes. Dimethoxybenzenes are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. Methyl [6]-paradol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Methyl [6]-paradol can be found in ginger, which makes methyl [6]-paradol a potential biomarker for the consumption of this food product.
cis-12-Oxophytodienoic acid
Cis-12-oxophytodienoic acid, also known as 12-oxo-cis-10, cis-15-phytodienoic acid or 12-oxo-pda, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. Cis-12-oxophytodienoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Cis-12-oxophytodienoic acid can be found in flaxseed, which makes cis-12-oxophytodienoic acid a potential biomarker for the consumption of this food product.
2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
8-[3-oxo-2-[(E)-pent-2-enyl]cyclopenten-1-yl]octanoic acid
(3S,2E)-2-(11-dodecenylidene)-3-methoxy-4-methylenebutanolide
(-)-ecklonialactone B|Ecklonialactone B|ecklonialactone-B
14,15-dinor-13-oxo-8(17)-labden-19-oic acid|15,16-Bisnor-13-oxo-8(17)-labden-19-oic acid
(-)-(1R,2S,6R,10S)-2alpha-acetoxy-11-methoxyamorpha-4,7-diene
7,8-dihydroxy-15,16-dinorlabda-8(20),11-dien-13-one|amentotaxin B
(10E,14Z)-9-Hydroxy-10,14-octadien-12-ynoic acid|(10E,14Z)-9-hydroxyoctadeca-10,14-dien-12-ynoic acid
(2Z,6R,8R,9E)-[3-ethyl-5-(2-ethylhex-3-enyl)-6-methyl-5H-furan-2-ylidene]acetic acid methyl ester
(5SR,8SR,9SR,10RS,13SR)-3,13-dihydroxy-15,16-dinorlabr-3-en-2-one|tagalsin P
(9Z,12Z)-(+)-form-7-Hydroxy-9,12-octadecadien-5-ynoic acid
(9S,10E,16R)-octadec-10-ene-12,14-diyne-1,9-16-triol
2-(2-Aethyl-4,5-dimethoxy-phenaethyl)-3-methyl-valeraldehyd|2-(2-ethyl-4,5-dimethoxy-phenethyl)-3-methyl-valeraldehyde
1-(3,4-dihydroxyphenyl)dodecan-5-one|1-(3,4-Dihydroxyphenyl)-5-dodecanone
(11S,16S,9Z)-9-octadecene-12,14-diyne-1,11,16-triol|oplopantriol B
(R)-(E)-8-Hydroxy-11,17-octadecadien-9-ynoic acid|8-Hydroxy-octadecadien-(trans-11,17)-in-(9)-saeure|8-hydroxy-trans-11,17-octadecadien-9-ynoic acid
C18H28O3_8-{(1S,5R)-4-Oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}octanoic acid
C18H28O3_2H-Pyran-2-one, tetrahydro-4-hydroxy-6-[2-(1,2,4a,5,6,7,8,8a-octahydro-2-methyl-1-naphthalenyl)ethyl]
4-hydroxy-6-[2-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)ethyl]oxan-2-one
4-Hydroxy-6-[2-(2-methyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)ethyl]tetrahydro-2H-pyran-2-one
Ectocarpin A
8-[(1R,5R)-4-oxo-5-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid
8-(3-Oxo-2-(pent-2-enyl) cyclopentenyl)octanoic acid
(9Z,11Z,14E,16Z)-13-Oxa-9,11,14,16-nonadecatetraenoic acid
8-[2-oxo-5-[(Z)-pent-2-enyl]cyclopent-3-en-1-yl]octanoic acid
12-Oxophytodienoic acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators
8-(2-(cis-2-Pentenyl)-3-oxo-cis-4-cyclopentenyl)octanoic acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators
(E,11Z)-11-[3-[(E)-pent-2-enyl]oxiran-2-ylidene]undec-9-enoic acid
9s,13r-12-Oxophytodienoic Acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators
(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid
A long-chain trienoic fatty acid consisting of octadecanoic acid having the three double bonds at positions 9, 11 and 15 as well as an epoxy ring linking positions 12 and 13.
(Z)-10-[(1R,2S,3S,5S)-3-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hexan-2-yl]dec-9-enoic acid
3,4-Dihydro-7-hydroxy-6-hexyl-2-methyl-2H-1-benzopyran-2-ethanol
8-[2-oxo-5-[(E)-pent-2-enyl]cyclopent-3-en-1-yl]octanoic acid
12-oxo-phytodienoic acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators
alpha-Licanic acid
A trienoic fatty acid comprising alpha-eleostearic acid having a 4-oxo substituent.
(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid
(9R,13R)-12-oxophytodienoic acid
The (9R,13R)-diastereomer of 12-oxophytodienoic acid.
11,17-Octadecadien-9-ynoic acid, 8-hydroxy-, (E)-(-)-
3-(1-methoxydodec-11-en-1-yl)-5-methylidenefuran-2-one
4-[3-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]but-3-en-2-one
(6z,8e,10s,12z,15z)-10-hydroxyoctadeca-6,8,12,15-tetraenoic acid
(2r)-2-[4-methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]oxirane
(8r,9s,10s)-10-methoxyheptadec-16-en-4,6-diyne-8,9-diol
(8r)-8-hydroxy-2-nonyl-5,6,7,8-tetrahydrochromen-4-one
10-{2-[3-(pent-2-en-1-yl)oxiran-2-yl]ethenyl}oxecan-2-one
(3e,4s)-3-(dodec-11-en-1-ylidene)-4-methoxy-5-methylideneoxolan-2-one
10-methoxyheptadeca-1-ene-4,6-diyne-3,9-diol
{"Ingredient_id": "HBIN000167","Ingredient_name": "10-methoxyheptadeca-1-ene-4,6-diyne-3,9-diol","Alias": "NA","Ingredient_formula": "C18H28O3","Ingredient_Smile": "CCCCCCCCC(C(C#CC#CC(C=C)O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31544","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
15,16-bisnor-13-oxo-8(17)-labden-19-oicacid
{"Ingredient_id": "HBIN001563","Ingredient_name": "15,16-bisnor-13-oxo-8(17)-labden-19-oicacid","Alias": "NA","Ingredient_formula": "C18H28O3","Ingredient_Smile": "CC(=O)CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14492","TCMID_id": "2489","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-dehydroxy-5-o-methylembelin
{"Ingredient_id": "HBIN005522","Ingredient_name": "2-dehydroxy-5-o-methylembelin","Alias": "NA","Ingredient_formula": "C18H28O3","Ingredient_Smile": "CCCCCCCCCCCC1=CC(=O)C=C(C1=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4986","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}