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CHEBI:172823 - Cyanidin 3-(6-caffeoylglucoside) 5-glucoside

ChEBI IDCHEBI:172823
ChEBI NameCyanidin 3-(6-caffeoylglucoside) 5-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H37O19
Net Charge+1
Average Mass773.673
Monoisotopic Mass773.19236
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OCC1OC(Oc2cc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O
InChIInChI=1S/C36H36O19/c37-12-25-28(44)30(46)32(48)35(54-25)52-23-10-16(38)9-22-17(23)11-24(34(51-22)15-3-5-19(40)21(42)8-15)53-36-33(49)31(47)29(45)26(55-36)13-50-27(43)6-2-14-1-4-18(39)20(41)7-14/h1-11,25-26,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1
InChIKeyVPWIBNQGHJUEJI-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Cyanidin 3-(6-caffeoylglucoside) 5-glucoside (CHEBI:172823) is a flavonoid (CHEBI:47916)
Cyanidin 3-(6-caffeoylglucoside) 5-glucoside (CHEBI:172823) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0037983HMDB