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

ChEBI IDCHEBI:169286
ChEBI Name5',8-Dihydroxy-3',4',7-trimethoxyflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O6
Net Charge0
Average Mass332.352
Monoisotopic Mass332.12599
SMILESCOc1ccc2c(c1O)OC(c1cc(O)c(OC)c(OC)c1)CC2
InChIInChI=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
InChIKeyGOKBMBGIUIOXRB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
35014923ChemSpider
HMDB0040308HMDB