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CHEBI:55456 - delphinidin 3,3',5-tri-O-glucoside

ChEBI IDCHEBI:55456
ChEBI Namedelphinidin 3,3',5-tri-O-glucoside
Stars
ASCII Namedelphinidin 3,3',5-tri-O-glucoside
DefinitionAn anthocyanin cation consisting of delphinidin with three β-D-glucosyl residues attached to the 3-, 3'- and 5-hydroxy groups.
Last Modified24 June 2014
SubmitterSteve
DownloadsMolfile
FormulaC33H41O22
Net Charge+1
Average Mass789.669
Monoisotopic Mass789.20840
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-c2cc(O)c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C33H40O22/c34-6-17-21(40)24(43)27(46)31(53-17)50-14-4-10(37)3-13-11(14)5-16(52-33-29(48)26(45)23(42)19(8-36)55-33)30(49-13)9-1-12(38)20(39)15(2-9)51-32-28(47)25(44)22(41)18(7-35)54-32/h1-5,17-19,21-29,31-36,40-48H,6-8H2,(H2-,37,38,39)/p+1/t17-,18-,19-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/m1/s1
InChIKeyYDAVXGXZAIUFTB-KCRRSQHJSA-O
ChEBI Ontology
Outgoing Relation(s)
delphinidin 3,3',5-tri-O-glucoside (CHEBI:55456) has functional parent delphinidin (CHEBI:28436)
delphinidin 3,3',5-tri-O-glucoside (CHEBI:55456) is a 5-hydroxyanthocyanin O-β-D-glucoside (CHEBI:140278)
delphinidin 3,3',5-tri-O-glucoside (CHEBI:55456) is a anthocyanin cation (CHEBI:35218)
delphinidin 3,3',5-tri-O-glucoside (CHEBI:55456) is a β-D-glucoside (CHEBI:22798)
delphinidin 3,3',5-tri-O-glucoside (CHEBI:55456) is conjugate acid of delphinidin 3,3',5-tri-O-β-D-glucoside betaine (CHEBI:77844)
Incoming Relation(s)
delphinidin 3,3',5-tri-O-β-D-glucoside betaine (CHEBI:77844) is conjugate base of delphinidin 3,3',5-tri-O-glucoside (CHEBI:55456)
Synonym  Source
Delphinidin 3,5,3'-triglucosideKEGG COMPOUND
Manual XrefsDatabases
C16314KEGG COMPOUND
Registry NumbersSources
Beilstein:5373533Beilstein
Citations