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CHEBI:27898 - cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)

ChEBI IDCHEBI:27898
ChEBI Namecyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)
Stars
ASCII Namecyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)
Secondary ChEBI IDsCHEBI:3972, CHEBI:23427
Last Modified24 June 2014
DownloadsMolfile
FormulaC32H39O20
Net Charge+1
Average Mass743.644
Monoisotopic Mass743.20292
SMILESOC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)30(50-19)47-9-20-23(41)25(43)29(52-31-26(44)21(39)16(38)8-46-31)32(51-20)49-18-6-12-14(36)4-11(34)5-17(12)48-28(18)10-1-2-13(35)15(37)3-10/h1-6,16,19-27,29-33,38-45H,7-9H2,(H3-,34,35,36,37)/p+1/t16-,19-,20-,21+,22-,23+,24+,25+,26-,27-,29-,30-,31+,32-/m1/s1
InChIKeyRAHCBDLMLRVOBZ-KMLVFDMGSA-O
ChEBI Ontology
Outgoing Relation(s)
cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) (CHEBI:27898) has functional parent cyanidin cation (CHEBI:27843)
cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) (CHEBI:27898) is a trisaccharide derivative (CHEBI:63571)
cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) (CHEBI:27898) is a xylosylgalactoside (CHEBI:27351)
cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) (CHEBI:27898) is conjugate acid of cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) betaine (CHEBI:77771)
Incoming Relation(s)
cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) betaine (CHEBI:77771) is conjugate base of cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) (CHEBI:27898)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl β-D-glucopyranosyl-(1→6)-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranoside
Synonym  Source
Cyanidin 3-O-(6''-glucosyl-2''-xylosylgalactoside)KEGG COMPOUND
Manual XrefsDatabases
C08612KEGG COMPOUND
Registry NumbersSources
CAS:60029-67-6KEGG COMPOUND