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CHEBI:178250 - 5,7,4'-Trimethoxyflavan

ChEBI IDCHEBI:178250
ChEBI Name5,7,4'-Trimethoxyflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O4
Net Charge0
Average Mass300.354
Monoisotopic Mass300.13616
SMILESCOc1ccc(C2CCc3c(OC)cc(OC)cc3O2)cc1
InChIInChI=1S/C18H20O4/c1-19-13-6-4-12(5-7-13)16-9-8-15-17(21-3)10-14(20-2)11-18(15)22-16/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyNODOVAFZWHOGIU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5,7,4'-Trimethoxyflavan (CHEBI:178250) is a ether (CHEBI:25698)
5,7,4'-Trimethoxyflavan (CHEBI:178250) is a flavonoids (CHEBI:72544)
IUPAC Name 
5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
Manual XrefsDatabases
10554881ChemSpider
LMPK12020277LIPID MAPS
Registry NumbersSources
CAS:4225-32-5ChemIDplus