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CHEBI:185758 - 5-O-Methyl-8-prenylafzelechin-4beta-ol

ChEBI IDCHEBI:185758
ChEBI Name5-O-Methyl-8-prenylafzelechin-4beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O6
Net Charge0
Average Mass372.417
Monoisotopic Mass372.15729
SMILESCOc1cc(O)c(CC=C(C)C)c2c1[C@H](O)[C@H](O)[C@@H](c1ccc(O)cc1)O2
InChIInChI=1S/C21H24O6/c1-11(2)4-9-14-15(23)10-16(26-3)17-18(24)19(25)20(27-21(14)17)12-5-7-13(22)8-6-12/h4-8,10,18-20,22-25H,9H2,1-3H3/t18-,19-,20+/m0/s1
InChIKeyUZKPAEYMUOTYEF-SLFFLAALSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5-O-Methyl-8-prenylafzelechin-4beta-ol (CHEBI:185758) is a flavans (CHEBI:38672)
IUPAC Name 
(2R,3S,4S)-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-3,4,7-triol
Manual XrefsDatabases
LMPK12020212LIPID MAPS
24842625ChemSpider