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CHEBI:80466 - Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)

ChEBI IDCHEBI:80466
ChEBI NamePelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)
Stars
DownloadsMolfile
FormulaC36H37O17
Net Charge+1
Average Mass741.675
Monoisotopic Mass741.20253
SMILESO=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)cc4)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C36H36O17/c37-14-25-28(42)30(44)32(46)36(52-25)51-24-13-21-22(49-34(24)17-4-8-19(39)9-5-17)11-20(40)12-23(21)50-35-33(47)31(45)29(43)26(53-35)15-48-27(41)10-3-16-1-6-18(38)7-2-16/h1-13,25-26,28-33,35-37,42-47H,14-15H2,(H2-,38,39,40,41)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
InChIKeyGBDTYZCMNRLPES-AQAMAIGXSA-O
ChEBI Ontology
Outgoing Relation(s)
Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside) (CHEBI:80466) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C16349KEGG COMPOUND