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CHEBI:192528 - cyanidin 3-O-[6-O-(4-O-β-D-glucosyl-p-coumaroyl)-2-O-(β-D-xylosyl)-β-D-glucosyl]-5-O-β-D-glucoside

ChEBI IDCHEBI:192528
ChEBI Namecyanidin 3-O-[6-O-(4-O-β-D-glucosyl-p-coumaroyl)-2-O-(β-D-xylosyl)-β-D-glucosyl]-5-O-β-D-glucoside
Stars
ASCII Namecyanidin 3-O-[6-O-(4-O-beta-D-glucosyl-p-coumaroyl)-2-O-(beta-D-xylosyl)-beta-D-glucosyl]-5-O-beta-D-glucoside
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC47H54O27
Net Charge0
Average Mass1050.922
Monoisotopic Mass1050.28525
SMILESO=C(/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)OC[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-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C47H54O27/c48-13-28-33(56)36(59)40(63)45(71-28)67-20-5-1-17(2-6-20)3-8-31(54)65-16-30-35(58)38(61)43(74-44-39(62)32(55)24(53)15-66-44)47(73-30)70-27-12-21-25(68-42(27)18-4-7-22(51)23(52)9-18)10-19(50)11-26(21)69-46-41(64)37(60)34(57)29(14-49)72-46/h1-12,24,28-30,32-41,43-49,53,55-64H,13-16H2,(H2-,50,51,52)/b8-3+/t24-,28-,29-,30-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,43-,44+,45-,46-,47-/m1/s1
InChIKeyOPWPCWHMCUWCGG-ILBDJVNJSA-N
ChEBI Ontology
Outgoing Relation(s)
cyanidin 3-O-[6-O-(4-O-β-D-glucosyl-p-coumaroyl)-2-O-(β-D-xylosyl)-β-D-glucosyl]-5-O-β-D-glucoside (CHEBI:192528) is a carbohydrate acid derivative (CHEBI:63436)
UniProt Name  Source
anthocyanin A6UniProt
Citations