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CHEBI:36122 - pelargonidin 3-O-β-D-glucoside chloride

ChEBI IDCHEBI:36122
ChEBI Namepelargonidin 3-O-β-D-glucoside chloride
Stars
ASCII Namepelargonidin 3-O-beta-D-glucoside chloride
DefinitionA member of the class of anthocyanin chlorides that has pelargonidin 3-O-β-D-glucoside as the cationic counterpart.
Last Modified7 March 2013
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC21H21O10.Cl
Net Charge0
Average Mass468.842
Monoisotopic Mass468.08232
SMILESOC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O.[Cl-]
InChIInChI=1S/C21H20O10.ClH/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9;/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25);1H/t16-,17-,18+,19-,21-;/m1./s1
InChIKeyCAHGSEFWVUVGGL-UBNZBFALSA-N
ChEBI Ontology
Outgoing Relation(s)
pelargonidin 3-O-β-D-glucoside chloride (CHEBI:36122) has part pelargonidin 3-O-β-D-glucoside (CHEBI:31967)
pelargonidin 3-O-β-D-glucoside chloride (CHEBI:36122) is a anthocyanin chlorides (CHEBI:38698)
IUPAC Name 
3-(β-D-glucopyranosyloxy)-4',5,7-trihydroxyflavylium chloride
Registry NumbersSources
Reaxys:3901091Reaxys
CAS:18466-51-8ChemIDplus