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CHEBI:4383 - Delphinidin 3,3',5'-tri-O-glucoside

Default Structure
ChEBI IDCHEBI:4383
ChEBI NameDelphinidin 3,3',5'-tri-O-glucoside
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC33H41O22
Net Charge+1
Average Mass789.669
Monoisotopic Mass789.20840
SMILESOC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)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)50-14-1-9(2-15(20(14)39)51-32-28(47)25(44)22(41)18(7-35)54-32)30-16(5-11-12(38)3-10(37)4-13(11)49-30)52-33-29(48)26(45)23(42)19(8-36)55-33/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
InChIKeyQLGDRYVFMZAWDU-KCRRSQHJSA-O
ChEBI Ontology
Outgoing Relation(s)
Delphinidin 3,3',5'-tri-O-glucoside (CHEBI:4383) is a anthocyanidin glycoside (CHEBI:71583)
Synonym  Source
Delphinidin 3,3',5'-tri-O-glucosideKEGG COMPOUND
Manual XrefsDatabases
C08640KEGG COMPOUND
Registry NumbersSources
CAS:132548-17-5KEGG COMPOUND