CHEBI:192528 - cyanidin 3-O-[6-O-(4-O-β-D-glucosyl-p-coumaroyl)-2-O-(β-D-xylosyl)-β-D-glucosyl]-5-O-β-D-glucoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name cyanidin 3-O-[6-O-(4-O-β-D-glucosyl-p-coumaroyl)-2-O-(β-D-xylosyl)-β-D-glucosyl]-5-O-β-D-glucoside
ChEBI ID CHEBI:192528
ChEBI ASCII Name cyanidin 3-O-[6-O-(4-O-beta-D-glucosyl-p-coumaroyl)-2-O-(beta-D-xylosyl)-beta-D-glucosyl]-5-O-beta-D-glucoside
Stars This entity has been manually annotated by a third party.
Submitter Elisabeth COUDERT
Supplier Information
Download Molfile XML SDF
Formula C47H54O27
Net Charge 0
Average Mass 1050.922
Monoisotopic Mass 1050.28525
InChI InChI=1S/C47H54O27/c48-13-28-33(56)36(59)40(63)45(71-28)67-20-5-1-17(2-6-20)3-8-31(54)65-16-30-35(58)38(61)43(74-44-39(62)32(55)24(53)15-66-44)47(73-30)70-27-12-21-25(68-42(27)18-4-7-22(51)23(52)9-18)10-19(50)11-26(21)69-46-41(64)37(60)34(57)29(14-49)72-46/h1-12,24,28-30,32-41,43-49,53,55-64H,13-16H2,(H2-,50,51,52)/b8-3+/t24-,28-,29-,30-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,43-,44+,45-,46-,47-/m1/s1
InChIKey OPWPCWHMCUWCGG-ILBDJVNJSA-N
SMILES C1=C(C=C(C2=C1[O+]=C(C(=C2)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)COC(/C=C/C5=CC=C(C=C5)O[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)CO)=O)C7=CC(=C(C=C7)O)O)O[C@@H]8O[C@@H]([C@H]([C@@H]([C@H]8O)O)O)CO)[O-]
ChEBI Ontology
Outgoing cyanidin 3-O-[6-O-(4-O-β-D-glucosyl-p-coumaroyl)-2-O-(β-D-xylosyl)-β-D-glucosyl]-5-O-β-D-glucoside (CHEBI:192528) is a carbohydrate acid derivative (CHEBI:63436)
Synonym Source
anthocyanin A6 UniProt
Citation Waiting for Citations Type Source
17292360 PubMed citation SUBMITTER