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CHEBI:31742 - kaempferol 3-O-β-D-galactoside

Default Structure
ChEBI IDCHEBI:31742
ChEBI Namekaempferol 3-O-β-D-galactoside
Stars
ASCII Namekaempferol 3-O-beta-D-galactoside
DefinitionA β-D-galactoside compound with a 4',5,7-trihydroxychromen-3-yl group at the anomeric position.
Last Modified8 July 2015
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
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/t13-,15+,17+,18-,21+/m1/s1
InChIKeyJPUKWEQWGBDDQB-DTGCRPNFSA-N
Wikipedia
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
kaempferol 3-O-β-D-galactoside (CHEBI:31742) has functional parent kaempferol (CHEBI:28499)
kaempferol 3-O-β-D-galactoside (CHEBI:31742) has role antifungal agent (CHEBI:35718)
kaempferol 3-O-β-D-galactoside (CHEBI:31742) has role plant metabolite (CHEBI:76924)
kaempferol 3-O-β-D-galactoside (CHEBI:31742) is a glycosyloxyflavone (CHEBI:50018)
kaempferol 3-O-β-D-galactoside (CHEBI:31742) is a monosaccharide derivative (CHEBI:63367)
kaempferol 3-O-β-D-galactoside (CHEBI:31742) is a trihydroxyflavone (CHEBI:27116)
kaempferol 3-O-β-D-galactoside (CHEBI:31742) is a β-D-galactoside (CHEBI:28034)
kaempferol 3-O-β-D-galactoside (CHEBI:31742) is conjugate acid of kaempferol 3-O-β-D-galactoside(1−) (CHEBI:76104)
Incoming Relation(s)
kaempferol 3-O-β-D-galactoside(1−) (CHEBI:76104) is conjugate base of kaempferol 3-O-β-D-galactoside (CHEBI:31742)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-D-galactopyranoside
Synonyms  Source
Kaempferol 3-O-beta-D-galactosideKEGG COMPOUND
TrifolinKEGG COMPOUND
TrifoliosideHMDB
Manual XrefsDatabases
C00005137KNApSAcK
C12626KEGG COMPOUND
CPD-7260MetaCyc
HMDB0030864HMDB
LMPK12111663LIPID MAPS
TrifolinWikipedia
Registry NumbersSources
Reaxys:1359975Reaxys
CAS:23627-87-4ChemIDplus
Citations