Kanzonol A (CHEBI:185091)

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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	Kanzonol A

ChEBI ID	CHEBI:185091

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H20O5

Net Charge

Average Mass

340.375

Monoisotopic Mass

340.13107

InChI

InChI=1S/C20H20O5/c1-12(2)3-4-13-9-14(5-8-17(13)22)18(23)11-20(25)16-7-6-15(21)10-19(16)24/h3,5-10,21-22,24H,4,11H2,1-2H3

InChIKey

PSBQRXSCIFYKAX-UHFFFAOYSA-N

SMILES

OC1=C(CC=C(C)C)C=C(C(=O)CC(=O)C2=C(O)C=C(O)C=C2)C=C1

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	Kanzonol A (CHEBI:185091) is a dihydrochalcones (CHEBI:71230)

IUPAC Name

1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propane-1,3-dione