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CHEBI:71587 - cyanidin 3-O-[β-D-xylosyl-(1→2)-β-D-galactoside]

ChEBI IDCHEBI:71587
ChEBI Namecyanidin 3-O-[β-D-xylosyl-(1→2)-β-D-galactoside]
Stars
ASCII Namecyanidin 3-O-[beta-D-xylosyl-(1->2)-beta-D-galactoside]
DefinitionAn anthocyanin cation that is cyanidin(1+) carrying a β-D-xylosyl-(1→2)-β-D-galactosyl substituent at position 3.
Last Modified14 January 2013
SubmitterSteve
DownloadsMolfile
FormulaC26H29O15
Net Charge+1
Average Mass581.503
Monoisotopic Mass581.15010
SMILESOC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20+,21+,22-,24-,25+,26-/m1/s1
InChIKeyZPPQIOUITZSYAO-MNOAYJSQSA-O
ChEBI Ontology
Outgoing Relation(s)
cyanidin 3-O-[β-D-xylosyl-(1→2)-β-D-galactoside] (CHEBI:71587) has functional parent cyanidin cation (CHEBI:27843)
cyanidin 3-O-[β-D-xylosyl-(1→2)-β-D-galactoside] (CHEBI:71587) is a anthocyanidin glycoside (CHEBI:71583)
cyanidin 3-O-[β-D-xylosyl-(1→2)-β-D-galactoside] (CHEBI:71587) is a anthocyanin cation (CHEBI:35218)
cyanidin 3-O-[β-D-xylosyl-(1→2)-β-D-galactoside] (CHEBI:71587) is a disaccharide derivative (CHEBI:63353)
cyanidin 3-O-[β-D-xylosyl-(1→2)-β-D-galactoside] (CHEBI:71587) is conjugate acid of cyanidin 3-O-[β-D-xylosyl-(1→2)-β-D-galactoside](1−) (CHEBI:71516)
Incoming Relation(s)
cyanidin 3-O-[β-D-xylosyl-(1→2)-β-D-galactoside](1−) (CHEBI:71516) is conjugate base of cyanidin 3-O-[β-D-xylosyl-(1→2)-β-D-galactoside] (CHEBI:71587)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 2-O-β-D-xylopyranosyl-β-D-galactopyranoside
Registry NumbersSources
Reaxys:5475237Reaxys