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CHEBI:186432 - Okanin 3,4-dimethyl ehter 4'-glucoside

ChEBI IDCHEBI:186432
ChEBI NameOkanin 3,4-dimethyl ehter 4'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O11
Net Charge0
Average Mass478.450
Monoisotopic Mass478.14751
SMILESCOc1ccc(/C=C/C(=O)c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c(O)c2O)cc1OC
InChIInChI=1S/C23H26O11/c1-31-14-7-4-11(9-16(14)32-2)3-6-13(25)12-5-8-15(19(27)18(12)26)33-23-22(30)21(29)20(28)17(10-24)34-23/h3-9,17,20-24,26-30H,10H2,1-2H3/b6-3+/t17-,20-,21-,22-,23-/m1/s1
InChIKeyFYXHSRBJYWBBHF-QUZQSYJISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Okanin 3,4-dimethyl ehter 4'-glucoside (CHEBI:186432) is a flavonoids (CHEBI:72544)
Okanin 3,4-dimethyl ehter 4'-glucoside (CHEBI:186432) is a glycoside (CHEBI:24400)
IUPAC Name 
(E)-1-[2,3-dihydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
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