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CHEBI:184893 - Methylpedicinin

ChEBI IDCHEBI:184893
ChEBI NameMethylpedicinin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14O6
Net Charge0
Average Mass314.293
Monoisotopic Mass314.07904
SMILESCOC1=C(OC)C(=O)C(C(=O)/C=C/c2ccccc2)=C(O)C1=O
InChIInChI=1S/C17H14O6/c1-22-16-14(20)12(13(19)15(21)17(16)23-2)11(18)9-8-10-6-4-3-5-7-10/h3-9,19H,1-2H3/b9-8+
InChIKeyHRKCLRLMUHTQGG-CMDGGOBGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
Methylpedicinin (CHEBI:184893) is a ubiquinones (CHEBI:16389)
IUPAC Name 
2-hydroxy-5,6-dimethoxy-3-[(E)-3-phenylprop-2-enoyl]cyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
LMPK12120420LIPID MAPS
10296392ChemSpider