Kuwanon A (CHEBI:169841)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Kuwanon A

ChEBI ID	CHEBI:169841

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C25H24O6

Net Charge

Average Mass

420.461

Monoisotopic Mass

420.15729

InChI

InChI=1S/C25H24O6/c1-13(2)5-6-16-22(29)21-19(28)11-14(26)12-20(21)30-23(16)17-7-8-18(27)15-9-10-25(3,4)31-24(15)17/h5,7-12,26-28H,6H2,1-4H3

InChIKey

DBUNRZUFILGKHP-UHFFFAOYSA-N

SMILES

O1C(C=CC=2C1=C(C=3OC=4C(C(=O)C3CC=C(C)C)=C(O)C=C(O)C4)C=CC2O)(C)C

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	Kuwanon A (CHEBI:169841) is a flavones (CHEBI:24043)

IUPAC Name

5,7-dihydroxy-2-(5-hydroxy-2,2-dimethylchromen-8-yl)-3-(3-methylbut-2-enyl)chromen-4-one