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CHEBI:192537 - cyanidin 3-O-[6-O-(p-coumaroyl)-2-O-(β-D-xylosyl)-β-D-glucosyl]-5-O-(6-O-malonyl-β-D-glucoside)(1−)

ChEBI IDCHEBI:192537
ChEBI Namecyanidin 3-O-[6-O-(p-coumaroyl)-2-O-(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-(beta-D-xylosyl)-beta-D-glucosyl]-5-O-(6-O-malonyl-beta-D-glucoside)(1-)
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC44H45O25
Net Charge-1
Average Mass973.819
Monoisotopic Mass973.22554
SMILESO=C([O-])CC(=O)OC[C@H]1O[C@@H](Oc2cc([O-])cc3[o+]c(-c4ccc(O)c(O)c4)c(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C44H46O25/c45-19-5-1-17(2-6-19)3-8-31(52)61-15-29-35(56)37(58)41(69-42-38(59)33(54)24(49)14-63-42)44(68-29)66-27-12-21-25(64-40(27)18-4-7-22(47)23(48)9-18)10-20(46)11-26(21)65-43-39(60)36(57)34(55)28(67-43)16-62-32(53)13-30(50)51/h1-12,24,28-29,33-39,41-44,49,54-60H,13-16H2,(H4-,45,46,47,48,50,51,52)/p-1/t24-,28-,29-,33+,34-,35-,36+,37+,38-,39-,41-,42+,43-,44-/m1/s1
InChIKeyJKGXHHXZZLNEGD-XINMMMEUSA-M
ChEBI Ontology
Outgoing Relation(s)
cyanidin 3-O-[6-O-(p-coumaroyl)-2-O-(β-D-xylosyl)-β-D-glucosyl]-5-O-(6-O-malonyl-β-D-glucoside)(1−) (CHEBI:192537) is a carbohydrate acid derivative anion (CHEBI:63551)
UniProt Name  Source
anthocyanin A5UniProt
Citations