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CHEBI:184743 - Chrysin 7-(4''-acetylglucoside)

ChEBI IDCHEBI:184743
ChEBI NameChrysin 7-(4''-acetylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O10
Net Charge0
Average Mass458.419
Monoisotopic Mass458.12130
SMILESCC(=O)O[C@@H]1C(CO)O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)[C@H]1O
InChIInChI=1S/C23H22O10/c1-11(25)30-22-18(10-24)33-23(21(29)20(22)28)31-13-7-14(26)19-15(27)9-16(32-17(19)8-13)12-5-3-2-4-6-12/h2-9,18,20-24,26,28-29H,10H2,1H3/t18?,20-,21?,22-,23-/m1/s1
InChIKeyDRNKLAZUHQQSNP-KICKQETISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Chrysin 7-(4''-acetylglucoside) (CHEBI:184743) is a flavonoids (CHEBI:72544)
Chrysin 7-(4''-acetylglucoside) (CHEBI:184743) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxan-3-yl] acetate
Manual XrefsDatabases
24843228ChemSpider
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