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CHEBI:38021 - cyanin chloride

ChEBI IDCHEBI:38021
ChEBI Namecyanin chloride
Stars
DefinitionA member of the class of anthocyanin chlorides that has cyanin cation as the cationic counterpart.
Last Modified7 March 2013
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC27H31O16.Cl
Net Charge0
Average Mass646.982
Monoisotopic Mass646.13006
SMILESOC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O.[Cl-]
InChIInChI=1S/C27H30O16.ClH/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27;/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32);1H/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1
InChIKeyQDVZZZBBPRFPDG-DHJOXOLYSA-N
ChEBI Ontology
Outgoing Relation(s)
cyanin chloride (CHEBI:38021) has part cyanin (CHEBI:3978)
cyanin chloride (CHEBI:38021) is a anthocyanin chlorides (CHEBI:38698)
IUPAC Name 
3,5-bis(β-D-glucopyranosyloxy)-3',4',7-trihydroxyflavylium chloride
Synonyms  Source
2-(3,4-dihydroxyphenyl)-3,5-bis(β-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium chlorideChemIDplus
2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-7-hydroxychromenylium-5-yl β-D-glucopyranoside chlorideIUPAC
Registry NumbersSources
Reaxys:3893276Reaxys
CAS:2611-67-8ChemIDplus