Methylpedicinin (CHEBI:184893)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Methylpedicinin

ChEBI ID	CHEBI:184893

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H14O6

Net Charge

Average Mass

314.293

Monoisotopic Mass

314.07904

InChI

InChI=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+

InChIKey

HRKCLRLMUHTQGG-CMDGGOBGSA-N

SMILES

O(C=1C(=O)C(=C(O)C(=O)C1OC)C(=O)/C=C/C2=CC=CC=C2)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

Roles Classification
Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. (via ubiquinones ) mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via ubiquinones )

ChEBI Ontology
Outgoing	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