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CHEBI:192543 - cyanidin 3-O-[6-O-(p-coumaroyl)-2-O-(2-O-sinapoyl-β-D-xylosyl)-β-D-glucosyl]-5-O-(6-O-malonyl-β-D-glucoside)(1−)

ChEBI IDCHEBI:192543
ChEBI Namecyanidin 3-O-[6-O-(p-coumaroyl)-2-O-(2-O-sinapoyl-β-D-xylosyl)-β-D-glucosyl]-5-O-(6-O-malonyl-β-D-glucoside)(1−)
Stars
ASCII Namecyanidin 3-O-[6-O-(p-coumaroyl)-2-O-(2-O-sinapoyl-beta-D-xylosyl)-beta-D-glucosyl]-5-O-(6-O-malonyl-beta-D-glucoside)(1-)
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC55H55O29
Net Charge-1
Average Mass1180.016
Monoisotopic Mass1179.28345
SMILESCOc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@H]3[C@H](Oc4cc5c(O[C@@H]6O[C@H](COC(=O)CC(=O)[O-])[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/C55H56O29/c1-73-34-13-24(14-35(74-2)44(34)67)6-12-41(64)83-51-43(66)31(60)20-77-54(51)84-52-48(71)46(69)38(21-75-40(63)11-5-23-3-8-26(56)9-4-23)82-55(52)80-36-18-28-32(78-50(36)25-7-10-29(58)30(59)15-25)16-27(57)17-33(28)79-53-49(72)47(70)45(68)37(81-53)22-76-42(65)19-39(61)62/h3-18,31,37-38,43,45-49,51-55,60,66,68-72H,19-22H2,1-2H3,(H5-,56,57,58,59,61,62,63,64,67)/p-1/t31-,37-,38-,43+,45-,46-,47+,48+,49-,51-,52-,53-,54+,55-/m1/s1
InChIKeyMAKMINQMKSULBY-GWCBQTKKSA-M
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-(6-O-malonyl-β-D-glucoside)(1−) (CHEBI:192543) is a carbohydrate acid derivative anion (CHEBI:63551)
UniProt Name  Source
anthocyanin A9UniProt
Citations