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CHEBI:192536 - cyanidin 3-O-[6-O-(p-coumaroyl)-2-O-(β-D-xylosyl)-β-D-glucosyl]-5-O-β-D-glucoside

Default Structure
ChEBI IDCHEBI:192536
ChEBI Namecyanidin 3-O-[6-O-(p-coumaroyl)-2-O-(β-D-xylosyl)-β-D-glucosyl]-5-O-β-D-glucoside
Stars
ASCII Namecyanidin 3-O-[6-O-(p-coumaroyl)-2-O-(beta-D-xylosyl)-beta-D-glucosyl]-5-O-beta-D-glucoside
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC41H44O22
Net Charge0
Average Mass888.781
Monoisotopic Mass888.23242
SMILESO=C(/C=C/c1ccc(O)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/C41H44O22/c42-13-27-31(50)33(52)36(55)40(61-27)59-25-11-19(44)10-24-20(25)12-26(37(58-24)17-4-7-21(45)22(46)9-17)60-41-38(63-39-35(54)30(49)23(47)14-57-39)34(53)32(51)28(62-41)15-56-29(48)8-3-16-1-5-18(43)6-2-16/h1-12,23,27-28,30-36,38-42,47,49-55H,13-15H2,(H3-,43,44,45,46,48)/t23-,27-,28-,30+,31-,32-,33+,34+,35-,36-,38-,39+,40-,41-/m1/s1
InChIKeyJSYDBTWJIIAZPU-NEVABJEQSA-N
ChEBI Ontology
Outgoing Relation(s)
cyanidin 3-O-[6-O-(p-coumaroyl)-2-O-(β-D-xylosyl)-β-D-glucosyl]-5-O-β-D-glucoside (CHEBI:192536) is a carbohydrate acid derivative (CHEBI:63436)
UniProt Name  Source
anthocyanin A3UniProt
Citations