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CHEBI:74811 - cyanidin 3-O-β-D-sambubioside

ChEBI IDCHEBI:74811
ChEBI Namecyanidin 3-O-β-D-sambubioside
Stars
ASCII Namecyanidin 3-O-beta-D-sambubioside
DefinitionAn anthocyanidin 3-O-β-D-sambubioside having cyanidin as the anthocyanidin component.
Last Modified25 July 2013
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-AOBOYTTNSA-O
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
cyanidin 3-O-β-D-sambubioside (CHEBI:74811) has functional parent cyanidin cation (CHEBI:27843)
cyanidin 3-O-β-D-sambubioside (CHEBI:74811) has role metabolite (CHEBI:25212)
cyanidin 3-O-β-D-sambubioside (CHEBI:74811) is a anthocyanidin 3-O-β-D-sambubioside (CHEBI:71506)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl β-D-xylopyranosyl-(1→2)-β-D-glucopyranoside
Synonyms  Source
Cyanidin 3-O-sambubiosideHMDB
Cyanidin 3-sambubiosideHMDB
Manual XrefsDatabases
C20490KEGG COMPOUND
HMDB0037976HMDB
Registry NumbersSources
Reaxys:3898420Reaxys
CAS:33012-73-6HMDB
Citations