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CHEBI:76104 - kaempferol 3-O-β-D-galactoside(1−)

ChEBI IDCHEBI:76104
ChEBI Namekaempferol 3-O-β-D-galactoside(1−)
Stars
ASCII Namekaempferol 3-O-beta-D-galactoside(1-)
DefinitionAn organic anion obtained by selective deprotonation of the 7-hydroxy group of kaempferol 3-O-β-D-galactoside; major species at pH 7.3.
Last Modified8 November 2013
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H19O11
Net Charge-1
Average Mass447.372
Monoisotopic Mass447.09329
SMILESO=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)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/p-1/t13-,15+,17+,18-,21+/m1/s1
InChIKeyJPUKWEQWGBDDQB-DTGCRPNFSA-M
ChEBI Ontology
Outgoing Relation(s)
kaempferol 3-O-β-D-galactoside(1−) (CHEBI:76104) is a organic anion (CHEBI:25696)
kaempferol 3-O-β-D-galactoside(1−) (CHEBI:76104) is conjugate base of kaempferol 3-O-β-D-galactoside (CHEBI:31742)
Incoming Relation(s)
kaempferol 3-O-β-D-galactoside (CHEBI:31742) is conjugate acid of kaempferol 3-O-β-D-galactoside(1−) (CHEBI:76104)
IUPAC Name 
3-(β-D-galactopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate
UniProt Name  Source
kaempferol 3-O-β-D-galactosideUniProt
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