Dihydroketoprofen (CHEBI:191038)

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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	Dihydroketoprofen

ChEBI ID	CHEBI:191038

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H16O3

Net Charge

Average Mass

256.301

Monoisotopic Mass

256.10994

InChI

InChI=1S/C16H16O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-9,11,13H,10H2,1H3,(H,18,19)

InChIKey

COQHFALLBPGIMO-UHFFFAOYSA-N

SMILES

OC(=O)C(C1CC(=CC=C1)C(=O)C2=CC=CC=C2)C

Metabolite of Species	Details
Rattus norvegicus (NCBI:txid10116)	Found in INS-1 cell (BTO:0002135). See: MetaboLights Study

ChEBI Ontology
Outgoing	Dihydroketoprofen (CHEBI:191038) is a monoterpenoid (CHEBI:25409)

IUPAC Name

2-(5-benzoylcyclohexa-2,4-dien-1-yl)propanoic acid