CHEBI:72649 - cyanidin 3-O-[6-O-(4-O-β-D-glucosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-β-D-xylosyl)-β-D-glucosyl]-5-O-(6-O-malonyl-β-D-glucoside)(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cyanidin 3-O-[6-O-(4-O-β-D-glucosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-β-D-xylosyl)-β-D-glucosyl]-5-O-(6-O-malonyl-β-D-glucoside)(1−)
ChEBI ID CHEBI:72649
ChEBI ASCII Name cyanidin 3-O-[6-O-(4-O-beta-D-glucosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-beta-D-xylosyl)-beta-D-glucosyl]-5-O-(6-O-malonyl-beta-D-glucoside)(1-)
Definition A carbohydrate acid derivative anion obtained by deprotonation of the carboxy and 7-hydroxy groups of cyanidin 3-O-[6-O-(4-O-β-D-glucosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-β-D-xylosyl)-β-D-glucosyl]-5-O-(6-O-malonyl-β-D-glucoside).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C61H65O34
Net Charge -1
Average Mass 1342.14840
Monoisotopic Mass 1341.33627
InChI InChI=1S/C61H66O34/c1-82-35-13-25(14-36(83-2)46(35)73)6-12-43(70)94-56-45(72)32(66)21-86-60(56)95-57-52(79)49(76)40(22-84-42(69)11-5-24-3-8-28(9-4-24)87-58-53(80)50(77)47(74)38(20-62)91-58)93-61(57)90-37-18-29-33(88-55(37)26-7-10-30(64)31(65)15-26)16-27(63)17-34(29)89-59-54(81)51(78)48(75)39(92-59)23-85-44(71)19-41(67)68/h3-18,32,38-40,45,47-54,56-62,66,72,74-81H,19-23H2,1-2H3,(H4-,63,64,65,67,68,70,73)/p-1/b11-5+/t32-,38-,39-,40-,45+,47-,48-,49-,50+,51+,52+,53-,54-,56-,57-,58-,59-,60+,61-/m1/s1
InChIKey QRNIDVBVORPNBX-YYZQHOFDSA-M
SMILES COc1cc(\C=C\C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)O[C@H]2Oc2cc3c(O[C@@H]4O[C@H](COC(=O)CC([O-])=O)[C@@H](O)[C@H](O)[C@H]4O)cc([O-])cc3[o+]c2-c2ccc(O)c(O)c2)cc(OC)c1O
ChEBI Ontology
Outgoing cyanidin 3-O-[6-O-(4-O-β-D-glucosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-β-D-xylosyl)-β-D-glucosyl]-5-O-(6-O-malonyl-β-D-glucoside)(1−) (CHEBI:72649) is a carbohydrate acid derivative anion (CHEBI:63551)
cyanidin 3-O-[6-O-(4-O-β-D-glucosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-β-D-xylosyl)-β-D-glucosyl]-5-O-(6-O-malonyl-β-D-glucoside)(1−) (CHEBI:72649) is conjugate base of cyanidin 3-O-[6-O-(4-O-β-D-glucosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-β-D-xylosyl)-β-D-glucosyl]-5-O-(6-O-malonyl-β-D-glucoside) (CHEBI:72696)
Incoming cyanidin 3-O-[6-O-(4-O-β-D-glucosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-β-D-xylosyl)-β-D-glucosyl]-5-O-(6-O-malonyl-β-D-glucoside) (CHEBI:72696) is conjugate acid of cyanidin 3-O-[6-O-(4-O-β-D-glucosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-β-D-xylosyl)-β-D-glucosyl]-5-O-(6-O-malonyl-β-D-glucoside)(1−) (CHEBI:72649)
IUPAC Name
5-{[6-O-(carboxylatoacetyl)-β-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-oxidochromenium-3-yl 6-O-{(2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]prop-2-enoyl}-2-O-{2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-β-D-xylopyranosyl}-β-D-glucopyranoside
Synonyms Sources
anthocyanin A11 UniProt
Arabidopsis anthocyanin A11(1−) ChEBI
cyanidin 3-O-[2''-O-(6'''-O-(sinapoyl)xylosyl) 6''-O-(p-O-(glucosyl)-p-coumaroyl) glucoside]-5-O-(6''''-O-malonyl)glucoside SUBMITTER
cyanidin 3-O-[2-O-(2-O-(sinapoyl)-β-D-xylopyranosyl)-6-O-(4-O-(β-D-glucopyranosyl)-p-coumaroyl)-β-D-glucopyranoside]-5-O-[6-O-(malonyl)-β-D-glucopyranoside] SUBMITTER
cyanidin 3-O-[6-O-(4-O-β-D-glucopyranosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-β-D-xylopyranosyl)-β-D-glucopyranosyl]-5-O-(6-O-malonyl-β-D-glucopyranoside)(1−) ChEBI
Citations Types Sources
11830144 PubMed citation SUBMITTER
15807784 PubMed citation SUBMITTER
17600138 PubMed citation SUBMITTER
Last Modified
30 June 2022