Kanzonol E (CHEBI:168765)

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	Kanzonol E

ChEBI ID	CHEBI:168765

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C25H24O4

Net Charge

Average Mass

388.463

Monoisotopic Mass

388.16746

InChI

InChI=1S/C25H24O4/c1-15(2)5-6-16-12-19-21(27)14-23(28-24(19)13-20(16)26)17-7-8-22-18(11-17)9-10-25(3,4)29-22/h5,7-14,26H,6H2,1-4H3

InChIKey

YQCBVKUBTQVHOT-UHFFFAOYSA-N

SMILES

O1C(C=CC2=C1C=CC(=C2)C=3OC4=C(C=C(CC=C(C)C)C(O)=C4)C(=O)C3)(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	Kanzonol E (CHEBI:168765) is a flavones (CHEBI:24043)

IUPAC Name

2-(2,2-dimethylchromen-6-yl)-7-hydroxy-6-(3-methylbut-2-enyl)chromen-4-one