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CHEBI:186426 - 4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside

Default Structure
ChEBI IDCHEBI:186426
ChEBI Name4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O11
Net Charge0
Average Mass506.504
Monoisotopic Mass506.17881
SMILESCOc1ccc(/C=C/C(=O)c2c(OC)cc(OC)cc2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c(OC)c1
InChIInChI=1S/C25H30O11/c1-31-14-7-5-13(17(9-14)33-3)6-8-16(27)21-18(34-4)10-15(32-2)11-19(21)35-25-24(30)23(29)22(28)20(12-26)36-25/h5-11,20,22-26,28-30H,12H2,1-4H3/b8-6+/t20?,22-,23+,24?,25-/m1/s1
InChIKeyHVISDQXFNJPZDE-OFHYQNCASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside (CHEBI:186426) is a flavonoids (CHEBI:72544)
4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside (CHEBI:186426) is a glycoside (CHEBI:24400)
IUPAC Name 
(E)-3-(2,4-dimethoxyphenyl)-1-[2,4-dimethoxy-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Manual XrefsDatabases
24845992ChemSpider
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