Heteroflavanone B (CHEBI:169821)

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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	Heteroflavanone B

ChEBI ID	CHEBI:169821

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C24H28O7

Net Charge

Average Mass

428.481

Monoisotopic Mass

428.18350

InChI

InChI=1S/C24H28O7/c1-13(2)7-8-15-18(28-4)11-16(25)22-17(26)12-21(31-24(15)22)23-19(29-5)9-14(27-3)10-20(23)30-6/h7,9-11,21,25H,8,12H2,1-6H3

InChIKey

CQHDMUSZBYPHBO-UHFFFAOYSA-N

SMILES

O1C(CC(=O)C2=C1C(CC=C(C)C)=C(OC)C=C2O)C3=C(OC)C=C(OC)C=C3OC

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	Heteroflavanone B (CHEBI:169821) is a flavanones (CHEBI:28863)

IUPAC Name

5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromen-4-one