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−)

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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-(p-coumaroyl)-2-O-(β-D-xylosyl)-β-D-glucosyl]-5-O-(6-O-malonyl-β-D-glucoside)(1−)
ChEBI ID CHEBI:192537
ChEBI ASCII Name cyanidin 3-O-[6-O-(p-coumaroyl)-2-O-(beta-D-xylosyl)-beta-D-glucosyl]-5-O-(6-O-malonyl-beta-D-glucoside)(1-)
Stars This entity has been manually annotated by a third party.
Submitter Elisabeth COUDERT
Supplier Information
Download Molfile XML SDF
Formula C44H45O25
Net Charge -1
Average Mass 973.820
Monoisotopic Mass 973.22554
InChI InChI=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
InChIKey JKGXHHXZZLNEGD-XINMMMEUSA-M
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)=O)C6=CC(=C(C=C6)O)O)O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)COC(CC([O-])=O)=O)[O-]
ChEBI Ontology
Outgoing 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)
Synonym Source
anthocyanin A5 UniProt
Citation Waiting for Citations Type Source
17425720 PubMed citation SUBMITTER