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CHEBI:191801 - Kaempferol 5-glucoside

Default Structure
ChEBI IDCHEBI:191801
ChEBI NameKaempferol 5-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILESO=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c12
InChIInChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)31-12-6-10(24)5-11-14(12)16(26)18(28)20(30-11)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13?,15-,17+,19?,21-/m1/s1
InChIKeyZSDLSQASILNAAH-LQPIGNGESA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 5-glucoside (CHEBI:191801) is a flavonoids (CHEBI:72544)
Kaempferol 5-glucoside (CHEBI:191801) is a glycoside (CHEBI:24400)
IUPAC Name 
3,7-dihydroxy-2-(4-hydroxyphenyl)-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24844588ChemSpider
LMPK12111845LIPID MAPS