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CHEBI:192529 - cyanidin 3-O-[6-O-(4-O-β-D-glucosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-β-D-xylosyl)-β-D-glucosyl]-5-O-β-D-glucoside

ChEBI IDCHEBI:192529
ChEBI Namecyanidin 3-O-[6-O-(4-O-β-D-glucosyl-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-(4-O-beta-D-glucosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-beta-D-xylosyl)-beta-D-glucosyl]-5-O-beta-D-glucoside
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC58H64O31
Net Charge0
Average Mass1257.119
Monoisotopic Mass1256.34316
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[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)[C@@H](O)[C@@H]3O)OC[C@@H](O)[C@@H]2O)cc(OC)c1O
InChIInChI=1S/C58H64O31/c1-77-34-13-24(14-35(78-2)43(34)68)6-12-41(66)88-53-42(67)31(64)21-80-57(53)89-54-49(74)46(71)39(22-79-40(65)11-5-23-3-8-27(9-4-23)81-55-50(75)47(72)44(69)37(19-59)85-55)87-58(54)84-36-18-28-32(82-52(36)25-7-10-29(62)30(63)15-25)16-26(61)17-33(28)83-56-51(76)48(73)45(70)38(20-60)86-56/h3-18,31,37-39,42,44-51,53-60,64,67,69-76H,19-22H2,1-2H3,(H3-,61,62,63,66,68)/b11-5+/t31-,37-,38-,39-,42+,44-,45-,46-,47+,48+,49+,50-,51-,53-,54-,55-,56-,57+,58-/m1/s1
InChIKeyQPUCGPFRKWVURQ-LWSGIWERSA-N
ChEBI Ontology
Outgoing Relation(s)
cyanidin 3-O-[6-O-(4-O-β-D-glucosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-β-D-xylosyl)-β-D-glucosyl]-5-O-β-D-glucoside (CHEBI:192529) is a carbohydrate acid derivative (CHEBI:63436)
UniProt Name  Source
anthocyanin A10UniProt
Citations