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CHEBI:185058 - 4'-Hydroxy-7-methoxy-8-methylflavan

ChEBI IDCHEBI:185058
ChEBI Name4'-Hydroxy-7-methoxy-8-methylflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O3
Net Charge0
Average Mass270.328
Monoisotopic Mass270.12559
SMILESCOc1ccc2c(c1C)O[C@H](c1ccc(O)cc1)CC2
InChIInChI=1S/C17H18O3/c1-11-15(19-2)9-5-13-6-10-16(20-17(11)13)12-3-7-14(18)8-4-12/h3-5,7-9,16,18H,6,10H2,1-2H3/t16-/m0/s1
InChIKeyJMZFKVHPHJWAFE-INIZCTEOSA-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-7-methoxy-8-methylflavan (CHEBI:185058) is a ether (CHEBI:25698)
4'-Hydroxy-7-methoxy-8-methylflavan (CHEBI:185058) is a flavonoids (CHEBI:72544)
IUPAC Name 
4-[(2S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-2-yl]phenol
Manual XrefsDatabases
24842638ChemSpider
LMPK12020231LIPID MAPS