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

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ChEBI Name delphinidin 3,3',5-tri-O-glucoside ChEBI ID CHEBI:55456 ChEBI ASCII Name delphinidin 3,3',5-tri-O-glucoside Definition An anthocyanin cation consisting of delphinidin with three β-D-glucosyl residues attached to the 3-, 3'- and 5-hydroxy groups. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C33H41O22 Net Charge +1 Average Mass 789.66540 Monoisotopic Mass 789.20840 InChI InChI=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 InChIKey YDAVXGXZAIUFTB-KCRRSQHJSA-O SMILES OC[C@H]1O[C@@H](Oc2cc(cc(O)c2O)-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ChEBI Ontology Outgoing 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 β-D-glucoside (CHEBI:22798) 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 conjugate acid of delphinidin 3,3',5-tri-O-β-D-glucoside betaine (CHEBI:77844) Incoming 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'-triglucoside KEGG COMPOUND Manual Xref Database C16314 KEGG COMPOUND View more database links Registry Number Type Source 5373533 Beilstein Registry Number Beilstein Citation Type Source 12857844 PubMed citation Europe PMC Last Modified 24 June 2014