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CHEBI:186270 - 4,5,4'-Trihydroxy-7-methoxy-8-prenylflavan

ChEBI IDCHEBI:186270
ChEBI Name4,5,4'-Trihydroxy-7-methoxy-8-prenylflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O5
Net Charge0
Average Mass356.418
Monoisotopic Mass356.16237
SMILESCOc1cc(O)c2c(c1CC=C(C)C)O[C@H](c1ccc(O)cc1)C[C@H]2O
InChIInChI=1S/C21H24O5/c1-12(2)4-9-15-19(25-3)11-17(24)20-16(23)10-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,11,16,18,22-24H,9-10H2,1-3H3/t16-,18+/m1/s1
InChIKeyVLWJOYMOYMWONM-AEFFLSMTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
4,5,4'-Trihydroxy-7-methoxy-8-prenylflavan (CHEBI:186270) is a flavans (CHEBI:38672)
IUPAC Name 
(2S,4R)-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-4,5-diol
Manual XrefsDatabases
LMPK12020171LIPID MAPS
24842594ChemSpider