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CHEBI:76272 - kaempferol 3-O-β-D-xyloside(1−)

Default Structure
ChEBI IDCHEBI:76272
ChEBI Namekaempferol 3-O-β-D-xyloside(1−)
Stars
ASCII Namekaempferol 3-O-beta-D-xyloside(1-)
DefinitionAn organic anion obtained by selective deprotonation of the 7-hydroxy group of kaempferol 3-O-β-D-xyloside; major species at pH 7.3.
Last Modified18 November 2013
SubmitterKAX
DownloadsMolfile
FormulaC20H17O10
Net Charge-1
Average Mass417.346
Monoisotopic Mass417.08272
SMILESO=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc([O-])cc(O)c12
InChIInChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/p-1/t12-,15+,17-,20+/m1/s1
InChIKeyRNVUDWOQYYWXBJ-BWYUNELBSA-M
ChEBI Ontology
Outgoing Relation(s)
kaempferol 3-O-β-D-xyloside(1−) (CHEBI:76272) is a organic anion (CHEBI:25696)
kaempferol 3-O-β-D-xyloside(1−) (CHEBI:76272) is conjugate base of kaempferol 3-O-β-D-xyloside (CHEBI:76294)
Incoming Relation(s)
kaempferol 3-O-β-D-xyloside (CHEBI:76294) is conjugate acid of kaempferol 3-O-β-D-xyloside(1−) (CHEBI:76272)
IUPAC Name 
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-(β-D-xylopyranosyloxy)-4H-chromen-7-olate
UniProt Name  Source
kaempferol 3-O-β-D-xylosideUniProt
Manual XrefsDatabases
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