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CHEBI:179864 - 3,4,2',4',6'-Pentahydroxychalcone 2'-glucoside

ChEBI IDCHEBI:179864
ChEBI Name3,4,2',4',6'-Pentahydroxychalcone 2'-glucoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O11
Net Charge0
Average Mass450.396
Monoisotopic Mass450.11621
SMILESO=C(/C=C/c1ccc(O)c(O)c1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C21H22O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-15-7-10(23)6-14(27)17(15)12(25)4-2-9-1-3-11(24)13(26)5-9/h1-7,16,18-24,26-30H,8H2/b4-2+
InChIKeyQELFZYXMLJAILU-DUXPYHPUSA-N
ChEBI Ontology
Outgoing Relation(s)
3,4,2',4',6'-Pentahydroxychalcone 2'-glucoside (CHEBI:179864) is a flavonoids (CHEBI:72544)
3,4,2',4',6'-Pentahydroxychalcone 2'-glucoside (CHEBI:179864) is a glycoside (CHEBI:24400)
IUPAC Name 
(E)-3-(3,4-dihydroxyphenyl)-1-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
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24845984ChemSpider
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