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CHEBI:3978 - cyanin

ChEBI IDCHEBI:3978
ChEBI Namecyanin
Stars
DefinitionAn anthocyanin cation that is cyanidin(1+) carrying two β-D-glucosyl residues at positions 3 and 5.
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H31O16
Net Charge+1
Average Mass611.529
Monoisotopic Mass611.16066
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
InChIInChI=1S/C27H30O16/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)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
InChIKeyRDFLLVCQYHQOBU-ZOTFFYTFSA-O
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
cyanin (CHEBI:3978) has functional parent cyanidin cation (CHEBI:27843)
cyanin (CHEBI:3978) has role plant metabolite (CHEBI:76924)
cyanin (CHEBI:3978) is a anthocyanin cation (CHEBI:35218)
cyanin (CHEBI:3978) is a β-D-glucoside (CHEBI:22798)
cyanin (CHEBI:3978) is conjugate acid of cyanin betaine (CHEBI:71511)
Incoming Relation(s)
cyanin chloride (CHEBI:38021) has part cyanin (CHEBI:3978)
cyanin betaine (CHEBI:71511) is conjugate base of cyanin (CHEBI:3978)
IUPAC Name 
3,5-bis(β-D-glucopyranosyloxy)-3',4',7-trihydroxyflavylium
Synonyms  Source
CyaninKEGG COMPOUND
Cyanidin 3,5-di-O-glucosideKEGG COMPOUND
Cyanidin 3,5-O-diglucosideKEGG COMPOUND
2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-7-hydroxychromenylium-5-yl β-D-glucopyranosideIUPAC
Cyanidin 3,5-diglucosideLIPID MAPS
Manual XrefsDatabases
C08639KEGG COMPOUND
CPD-7138MetaCyc
LMPK12010113LIPID MAPS
C00002378KNApSAcK
Registry NumbersSources
Reaxys:1417221Reaxys
CAS:20905-74-2KEGG COMPOUND
Citations