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CHEBI:185076 - 3,5,7,2',6'-Pentahydroxyflavone 2'-glucoside

ChEBI IDCHEBI:185076
ChEBI Name3,5,7,2',6'-Pentahydroxyflavone 2'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O12
Net Charge0
Average Mass464.379
Monoisotopic Mass464.09548
SMILESO=c1c(O)c(-c2c(O)cccc2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)oc2cc(O)cc(O)c12
InChIInChI=1S/C21H20O12/c22-6-12-15(26)17(28)19(30)21(33-12)32-10-3-1-2-8(24)14(10)20-18(29)16(27)13-9(25)4-7(23)5-11(13)31-20/h1-5,12,15,17,19,21-26,28-30H,6H2/t12?,15-,17+,19?,21-/m1/s1
InChIKeyWLCYEFFWFTVKQR-MTKBRLARSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
3,5,7,2',6'-Pentahydroxyflavone 2'-glucoside (CHEBI:185076) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
3,5,7-trihydroxy-2-[2-hydroxy-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
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