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CHEBI:192542 - cyanidin 3-O-[6-O-(p-coumaroyl)-2-O-(2-O-sinapoyl-β-D-xylosyl)-β-D-glucosyl]-5-O-β-D-glucoside

ChEBI IDCHEBI:192542
ChEBI Namecyanidin 3-O-[6-O-(p-coumaroyl)-2-O-(2-O-sinapoyl-β-D-xylosyl)-β-D-glucosyl]-5-O-β-D-glucoside
Stars
ASCII Namecyanidin 3-O-[6-O-(p-coumaroyl)-2-O-(2-O-sinapoyl-beta-D-xylosyl)-beta-D-glucosyl]-5-O-beta-D-glucoside
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC52H54O26
Net Charge0
Average Mass1094.978
Monoisotopic Mass1094.29033
SMILESCOc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@H]3[C@H](Oc4cc5c(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc([O-])cc5[o+]c4-c4ccc(O)c(O)c4)O[C@H](COC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@@H]3O)OC[C@@H](O)[C@@H]2O)cc(OC)c1O
InChIInChI=1S/C52H54O26/c1-68-33-13-23(14-34(69-2)41(33)62)6-12-39(60)77-48-40(61)30(58)20-71-51(48)78-49-45(66)43(64)37(21-70-38(59)11-5-22-3-8-25(54)9-4-22)76-52(49)74-35-18-27-31(72-47(35)24-7-10-28(56)29(57)15-24)16-26(55)17-32(27)73-50-46(67)44(65)42(63)36(19-53)75-50/h3-18,30,36-37,40,42-46,48-53,58,61,63-67H,19-21H2,1-2H3,(H4-,54,55,56,57,59,60,62)/t30-,36-,37-,40+,42-,43-,44+,45+,46-,48-,49-,50-,51+,52-/m1/s1
InChIKeyABJDYMVXHLYTHZ-JKXZSVHKSA-N
ChEBI Ontology
Outgoing Relation(s)
cyanidin 3-O-[6-O-(p-coumaroyl)-2-O-(2-O-sinapoyl-β-D-xylosyl)-β-D-glucosyl]-5-O-β-D-glucoside (CHEBI:192542) is a carbohydrate acid derivative (CHEBI:63436)
UniProt Name  Source
anthocyanin A7UniProt
Citations