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CHEBI:177926 - 3,4,2',3',4',6',alpha-Heptahydroxychalcone 2'-glucoside

ChEBI IDCHEBI:177926
ChEBI Name3,4,2',3',4',6',alpha-Heptahydroxychalcone 2'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O13
Net Charge0
Average Mass482.394
Monoisotopic Mass482.10604
SMILESO=C(/C(O)=C/c1ccc(O)c(O)c1)c1c(O)cc(O)c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C21H22O13/c22-6-13-17(30)18(31)19(32)21(33-13)34-20-14(10(25)5-12(27)16(20)29)15(28)11(26)4-7-1-2-8(23)9(24)3-7/h1-5,13,17-19,21-27,29-32H,6H2/b11-4-/t13-,17-,18-,19-,21+/m1/s1
InChIKeyRJTJWBXACHKQNE-ZHSGHMAKSA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) MetaboLights (MTBLS3247)
ChEBI Ontology
Outgoing Relation(s)
3,4,2',3',4',6',alpha-Heptahydroxychalcone 2'-glucoside (CHEBI:177926) is a flavonoids (CHEBI:72544)
3,4,2',3',4',6',alpha-Heptahydroxychalcone 2'-glucoside (CHEBI:177926) is a glycoside (CHEBI:24400)
IUPAC Name 
(Z)-3-(3,4-dihydroxyphenyl)-2-hydroxy-1-[3,4,6-trihydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Manual XrefsDatabases
LMPK12120366LIPID MAPS
24846025ChemSpider