5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone (CHEBI:186642)

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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	5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone

ChEBI ID	CHEBI:186642

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H18O7

Net Charge

Average Mass

346.335

Monoisotopic Mass

346.10525

InChI

InChI=1S/C18H18O7/c1-22-9-4-12(20)18-13(21)8-14(25-17(18)5-9)10-6-15(23-2)16(24-3)7-11(10)19/h4-7,14,19-20H,8H2,1-3H3

InChIKey

JVEWHXHGRUJELM-UHFFFAOYSA-N

SMILES

O1C(CC(=O)C=2C1=CC(OC)=CC2O)C=3C(O)=CC(OC)=C(OC)C3

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	5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone (CHEBI:186642) is a ether (CHEBI:25698) 5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone (CHEBI:186642) is a flavonoids (CHEBI:72544)

IUPAC Name

5-hydroxy-2-(2-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one