Pongagallone A (CHEBI:186989)

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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	Pongagallone A

ChEBI ID	CHEBI:186989

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H24O4

Net Charge

Average Mass

352.430

Monoisotopic Mass

352.16746

InChI

InChI=1S/C22H24O4/c1-15(2)10-11-17-12-18(22(26-4)14-21(17)25-3)20(24)13-19(23)16-8-6-5-7-9-16/h5-10,12-14,23H,11H2,1-4H3/b19-13-

InChIKey

HYEHSSXMOHMVLQ-UYRXBGFRSA-N

SMILES

O(C=1C(CC=C(C)C)=CC(=C(OC)C1)C(=O)/C=C(\O)/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

ChEBI Ontology
Outgoing	Pongagallone A (CHEBI:186989) is a chalcones (CHEBI:23086)

IUPAC Name

(Z)-1-[2,4-dimethoxy-5-(3-methylbut-2-enyl)phenyl]-3-hydroxy-3-phenylprop-2-en-1-one