5',8-Dihydroxy-3',4',7-trimethoxyflavan (CHEBI:169286)

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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',8-Dihydroxy-3',4',7-trimethoxyflavan

ChEBI ID	CHEBI:169286

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

Submitter	MetaboLights

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Formula

C18H20O6

Net Charge

Average Mass

332.352

Monoisotopic Mass

332.12599

InChI

InChI=1S/C18H20O6/c1-21-14-7-5-10-4-6-13(24-17(10)16(14)20)11-8-12(19)18(23-3)15(9-11)22-2/h5,7-9,13,19-20H,4,6H2,1-3H3

InChIKey

GOKBMBGIUIOXRB-UHFFFAOYSA-N

SMILES

O1C(CCC2=C1C(O)=C(OC)C=C2)C=3C=C(OC)C(OC)=C(O)C3

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	5',8-Dihydroxy-3',4',7-trimethoxyflavan (CHEBI:169286) is a ether (CHEBI:25698) 5',8-Dihydroxy-3',4',7-trimethoxyflavan (CHEBI:169286) is a flavonoids (CHEBI:72544)

IUPAC Name

2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol