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CHEBI:179865 - 3,4,2',4',6'-Pentahydroxychalcone 4'-glucoside

ChEBI IDCHEBI:179865
ChEBI Name3,4,2',4',6'-Pentahydroxychalcone 4'-glucoside
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FormulaC21H22O11
Net Charge0
Average Mass450.396
Monoisotopic Mass450.11621
SMILESO=C(/C=C/c1ccc(O)c(O)c1)c1c(O)cc(OC2OC(CO)C(O)C(O)C2O)cc1O
InChIInChI=1S/C21H22O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-10-6-14(26)17(15(27)7-10)12(24)4-2-9-1-3-11(23)13(25)5-9/h1-7,16,18-23,25-30H,8H2/b4-2+
InChIKeyGZTXEEPKLNRIEL-DUXPYHPUSA-N
ChEBI Ontology
Outgoing Relation(s)
3,4,2',4',6'-Pentahydroxychalcone 4'-glucoside (CHEBI:179865) is a flavonoids (CHEBI:72544)
3,4,2',4',6'-Pentahydroxychalcone 4'-glucoside (CHEBI:179865) is a glycoside (CHEBI:24400)
IUPAC Name 
(E)-3-(3,4-dihydroxyphenyl)-1-[2,6-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
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