Pinocembrin 7-O-benzoate (CHEBI:169416)

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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	Pinocembrin 7-O-benzoate

ChEBI ID	CHEBI:169416

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H16O5

Net Charge

Average Mass

360.365

Monoisotopic Mass

360.09977

InChI

InChI=1S/C22H16O5/c23-17-11-16(26-22(25)15-9-5-2-6-10-15)12-20-21(17)18(24)13-19(27-20)14-7-3-1-4-8-14/h1-12,19,23H,13H2

InChIKey

FQYXLHNQZRKBPK-UHFFFAOYSA-N

SMILES

O1C(CC(=O)C=2C1=CC(OC(=O)C3=CC=CC=C3)=CC2O)C4=CC=CC=C4

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	Pinocembrin 7-O-benzoate (CHEBI:169416) is a flavanones (CHEBI:28863)

IUPAC Name

(5-hydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl) benzoate