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CHEBI:168394 - 6-Hydroxykaempferol 7-glucoside

Default Structure
ChEBI IDCHEBI:168394
ChEBI Name6-Hydroxykaempferol 7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O12
Net Charge0
Average Mass464.379
Monoisotopic Mass464.09548
SMILESO=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c(O)c12
InChIInChI=1S/C21H20O12/c22-6-11-14(25)17(28)19(30)21(33-11)32-10-5-9-12(15(26)13(10)24)16(27)18(29)20(31-9)7-1-3-8(23)4-2-7/h1-5,11,14,17,19,21-26,28-30H,6H2/t11?,14-,17+,19?,21-/m1/s1
InChIKeyIYEWEDZIDUAUTD-IVOLYUADSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
6-Hydroxykaempferol 7-glucoside (CHEBI:168394) is a flavonoids (CHEBI:72544)
6-Hydroxykaempferol 7-glucoside (CHEBI:168394) is a glycoside (CHEBI:24400)
IUPAC Name 
3,5,6-trihydroxy-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24845442ChemSpider
LMPK12112827LIPID MAPS