CHEBI:72696 - 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)

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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)
ChEBI ID CHEBI:72696
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)
Definition An anthocyanin cation found in the leaves and stems of Arabidopsis thaliana.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C61H67O34
Net Charge +1
Average Mass 1344.16430
Monoisotopic Mass 1343.35083
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-O
SMILES COc1cc(\C=C\C(=O)O[C@H]2[C@@H](OC[C@@H](O)[C@@H]2O)O[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
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via 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) )
View more via ChEBI Ontology
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) (CHEBI:72696) has functional parent cyanidin cation (CHEBI:27843)
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) has role metabolite (CHEBI:25212)
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 a anthocyanin cation (CHEBI:35218)
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)
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)(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)
IUPAC Name
5-{[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-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
Arabidopsis anthocyanin A11 ChEBI
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) ChEBI
Manual Xref Database
LMPK12010193 LIPID MAPS
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Registry Number Type Source
9114901 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11830144 PubMed citation Europe PMC
15807784 PubMed citation Europe PMC
17600138 PubMed citation Europe PMC
Last Modified
07 March 2013