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CHEBI:172829 - Malvidin 3-(6-coumaroylglucoside) 5-glucoside

ChEBI IDCHEBI:172829
ChEBI NameMalvidin 3-(6-coumaroylglucoside) 5-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H41O19
Net Charge+1
Average Mass801.727
Monoisotopic Mass801.22366
SMILESCOc1cc(-c2[o+]c3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3cc2OC2OC(COC(=O)/C=C/c3ccc(O)cc3)C(O)C(O)C2O)cc(OC)c1O
InChIInChI=1S/C38H40O19/c1-50-23-9-17(10-24(51-2)29(23)43)36-25(13-20-21(53-36)11-19(41)12-22(20)54-37-34(48)32(46)30(44)26(14-39)56-37)55-38-35(49)33(47)31(45)27(57-38)15-52-28(42)8-5-16-3-6-18(40)7-4-16/h3-13,26-27,30-35,37-39,44-49H,14-15H2,1-2H3,(H2-,40,41,42,43)/p+1
InChIKeyKGEHZUCHEKVXEU-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Malvidin 3-(6-coumaroylglucoside) 5-glucoside (CHEBI:172829) is a flavonoid (CHEBI:47916)
Malvidin 3-(6-coumaroylglucoside) 5-glucoside (CHEBI:172829) is a glycoside (CHEBI:24400)
IUPAC Name 
[3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0038011HMDB