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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cyanidin 3-O-[β-D-xylosyl-(1→2)-β-D-galactoside]
ChEBI ID CHEBI:71587
ChEBI ASCII Name cyanidin 3-O-[beta-D-xylosyl-(1->2)-beta-D-galactoside]
Definition An anthocyanin cation that is cyanidin(1+) carrying a β-D-xylosyl-(1→2)-β-D-galactosyl substituent at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H29O15
Net Charge +1
Average Mass 581.49950
Monoisotopic Mass 581.15010
InChI InChI=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
InChIKey ZPPQIOUITZSYAO-MNOAYJSQSA-O
SMILES OC[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
ChEBI Ontology
Outgoing 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 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 Number Type Source
5475237 Reaxys Registry Number Reaxys
Last Modified
14 January 2013