CHEBI:187260 - 4-Hydroxy-5,7,4'-trimethoxyflavan

ChEBI IDCHEBI:187260
ChEBI Name4-Hydroxy-5,7,4'-trimethoxyflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O5
Net Charge0
Average Mass316.353
Monoisotopic Mass316.13107
SMILESCOc1ccc(C2CC(O)c3c(OC)cc(OC)cc3O2)cc1
InChIInChI=1S/C18H20O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-9,14-15,19H,10H2,1-3H3
InChIKeyXCMICCXLNOOUBF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
4-Hydroxy-5,7,4'-trimethoxyflavan (CHEBI:187260) is a ether (CHEBI:25698)
4-Hydroxy-5,7,4'-trimethoxyflavan (CHEBI:187260) is a flavonoids (CHEBI:72544)
IUPAC Name 
5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
Manual XrefsDatabases
508033ChemSpider
LMPK12020173LIPID MAPS