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CHEBI:80440 - Delphinidin 3-glucoside 5-caffoyl-glucoside

ChEBI IDCHEBI:80440
ChEBI NameDelphinidin 3-glucoside 5-caffoyl-glucoside
Stars
DownloadsMolfile
FormulaC36H37O20
Net Charge+1
Average Mass789.672
Monoisotopic Mass789.18727
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4cc(O)c(O)c(O)c4)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/C36H36O20/c37-11-24-28(45)30(47)32(49)36(55-24)54-23-10-16-21(52-34(23)14-6-19(41)27(44)20(42)7-14)8-15(38)9-22(16)53-35-33(50)31(48)29(46)25(56-35)12-51-26(43)4-2-13-1-3-17(39)18(40)5-13/h1-10,24-25,28-33,35-37,45-50H,11-12H2,(H5-,38,39,40,41,42,43,44)/p+1/t24-,25-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
InChIKeyIKPXCKVGTSPZDV-QHVGLBQHSA-O
ChEBI Ontology
Outgoing Relation(s)
Delphinidin 3-glucoside 5-caffoyl-glucoside (CHEBI:80440) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C16313KEGG COMPOUND