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CHEBI:186153 - 2',4',4-Trihydroxy-3',3-dimethoxychalcone 4'-O-glucoside

ChEBI IDCHEBI:186153
ChEBI Name2',4',4-Trihydroxy-3',3-dimethoxychalcone 4'-O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O11
Net Charge0
Average Mass478.450
Monoisotopic Mass478.14751
SMILESCOc1cc(/C=C/C(=O)c2ccc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(OC)c2O)ccc1O
InChIInChI=1S/C23H26O11/c1-31-16-9-11(4-7-14(16)26)3-6-13(25)12-5-8-15(22(32-2)18(12)27)33-23-21(30)20(29)19(28)17(10-24)34-23/h3-9,17,19-21,23-24,26-30H,10H2,1-2H3/b6-3+/t17?,19-,20+,21?,23-/m1/s1
InChIKeyLIYUMMBCLLSJKG-UMBKIMBVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
2',4',4-Trihydroxy-3',3-dimethoxychalcone 4'-O-glucoside (CHEBI:186153) is a flavonoids (CHEBI:72544)
2',4',4-Trihydroxy-3',3-dimethoxychalcone 4'-O-glucoside (CHEBI:186153) is a glycoside (CHEBI:24400)
IUPAC Name 
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-[2-hydroxy-3-methoxy-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Manual XrefsDatabases
24845942ChemSpider
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