EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:28215 - cyanidin 3,3',5-tri-O-glucoside

ChEBI IDCHEBI:28215
ChEBI Namecyanidin 3,3',5-tri-O-glucoside
Stars
ASCII Namecyanidin 3,3',5-tri-O-glucoside
Secondary ChEBI IDsCHEBI:3971, CHEBI:23426
Last Modified29 March 2018
DownloadsMolfile
FormulaC33H41O21
Net Charge+1
Average Mass773.670
Monoisotopic Mass773.21348
SMILESOC[C@H]1O[C@@H](Oc2cc(-c3[o+]c4cc(O)cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4cc3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C33H40O21/c34-7-18-21(39)24(42)27(45)31(52-18)49-15-5-11(37)4-14-12(15)6-17(51-33-29(47)26(44)23(41)20(9-36)54-33)30(48-14)10-1-2-13(38)16(3-10)50-32-28(46)25(43)22(40)19(8-35)53-32/h1-6,18-29,31-36,39-47H,7-9H2,(H-,37,38)/p+1/t18-,19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/m1/s1
InChIKeyZOEXTKFPTHFWDY-PQFOCHFESA-O
ChEBI Ontology
Outgoing Relation(s)
cyanidin 3,3',5-tri-O-glucoside (CHEBI:28215) has functional parent cyanidin cation (CHEBI:27843)
cyanidin 3,3',5-tri-O-glucoside (CHEBI:28215) is a 5-hydroxyanthocyanin O-β-D-glucoside (CHEBI:140278)
IUPAC Name 
5-[3,5-bis(β-D-glucopyranosyloxy)-7-hydroxychromenylium-2-yl]-2-hydroxyphenyl β-D-glucopyranoside
Synonym  Source
Cyanidin 3,5,3'-tri-O-glucosideKEGG COMPOUND
Manual XrefsDatabases
C08629KEGG COMPOUND
C00002377KNApSAcK
Registry NumbersSources
CAS:88110-66-1KEGG COMPOUND