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CHEBI:168037 - Kaempferol 3-alpha-D-galactoside

ChEBI IDCHEBI:168037
ChEBI NameKaempferol 3-alpha-D-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILESO=c1c(O[C@H]2OC(CO)[C@H](O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
InChIInChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13?,15-,17?,18?,21+/m0/s1
InChIKeyJPUKWEQWGBDDQB-DHTVHLPASA-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)
Kaempferol 3-alpha-D-galactoside (CHEBI:168037) is a flavonoids (CHEBI:72544)
Kaempferol 3-alpha-D-galactoside (CHEBI:168037) is a glycoside (CHEBI:24400)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12111662LIPID MAPS
24844408ChemSpider