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CHEBI:16726 - cyanidin 3-O-rutinoside chloride

ChEBI IDCHEBI:16726
ChEBI Namecyanidin 3-O-rutinoside chloride
Stars
ASCII Namecyanidin 3-O-rutinoside chloride
DefinitionA member of the class of anthocyanin chlorides that has cyanidin 3-O-rutinoside as the cationic counterpart.
Secondary ChEBI IDsCHEBI:3976, CHEBI:14039, CHEBI:23431
Last Modified5 March 2018
DownloadsMolfile
FormulaC27H31O15.Cl
Net Charge0
Average Mass630.983
Monoisotopic Mass630.13515
SMILESC[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](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O.[Cl-]
InChIInChI=1S/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+;/m0./s1
InChIKeyADZHXBNWNZIHIX-XYGAWYNKSA-N
ChEBI Ontology
Outgoing Relation(s)
cyanidin 3-O-rutinoside chloride (CHEBI:16726) has part cyanidin 3-O-rutinoside (CHEBI:28064)
cyanidin 3-O-rutinoside chloride (CHEBI:16726) is a anthocyanin chlorides (CHEBI:38698)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside chloride
Synonyms  Source
Cyanidin-3-rhamnoglucoside chlorideKEGG COMPOUND
KeracyaninKEGG COMPOUND
SambucinChemIDplus
Cyanidin-3-rhamnoglucoside chlorideChemIDplus
PrunicyaninChemIDplus
AntirrhininChemIDplus
Manual XrefsDatabases
C04491KEGG COMPOUND
D08097KEGG DRUG
C00002376KNApSAcK
Registry NumbersSources
CAS:18719-76-1KEGG COMPOUND
CAS:18719-76-1ChemIDplus