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CHEBI:177994 - 6-Hydroxykaempferol 3-glucoside

ChEBI IDCHEBI:177994
ChEBI Name6-Hydroxykaempferol 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O12
Net Charge0
Average Mass464.379
Monoisotopic Mass464.09548
SMILESO=c1c(O[C@H]2O[C@H](CO)[C@@H](O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12
InChIInChI=1S/C21H20O12/c22-6-11-14(26)17(29)18(30)21(32-11)33-20-16(28)12-10(5-9(24)13(25)15(12)27)31-19(20)7-1-3-8(23)4-2-7/h1-5,11,14,17-18,21-27,29-30H,6H2/t11-,14-,17?,18?,21-/m1/s1
InChIKeyDIYGQKBUNSAYQA-JBKWXQLZSA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) Article
ChEBI Ontology
Outgoing Relation(s)
6-Hydroxykaempferol 3-glucoside (CHEBI:177994) is a flavonoids (CHEBI:72544)
6-Hydroxykaempferol 3-glucoside (CHEBI:177994) is a glycoside (CHEBI:24400)
IUPAC Name 
5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12112817LIPID MAPS
24845432ChemSpider