CHEBI:31442 - cyanidin 3-O-(6-O-malonyl-β-D-glucoside)

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ChEBI Name cyanidin 3-O-(6-O-malonyl-β-D-glucoside)
ChEBI ID CHEBI:31442
ChEBI ASCII Name cyanidin 3-O-(6-O-malonyl-beta-D-glucoside)
Definition An anthocyanin cation consisting of cyanidin having a 6-O-malonyl-β-D-glucosyl residue attached at the 3-hydroxy position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H23O14
Net Charge +1
Average Mass 535.43100
Monoisotopic Mass 535.10823
InChI InChI=1S/C24H22O14/c25-10-4-13(27)11-6-16(23(36-15(11)5-10)9-1-2-12(26)14(28)3-9)37-24-22(34)21(33)20(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,20-22,24,32-34H,7-8H2,(H4-,25,26,27,28,29,30)/p+1/t17-,20-,21+,22-,24-/m1/s1
InChIKey ROQLTZUOXIQBDO-JZWLZXDTSA-O
SMILES O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing cyanidin 3-O-(6-O-malonyl-β-D-glucoside) (CHEBI:31442) has functional parent cyanidin cation (CHEBI:27843)
cyanidin 3-O-(6-O-malonyl-β-D-glucoside) (CHEBI:31442) is a β-D-glucoside (CHEBI:22798)
cyanidin 3-O-(6-O-malonyl-β-D-glucoside) (CHEBI:31442) is a anthocyanin cation (CHEBI:35218)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside
Synonyms Sources
Cyanidin 3-O-(6'-O-malonylglucoside) KEGG COMPOUND
Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside) KEGG COMPOUND
Cyanidin-3-(6'-malonylglucoside) KEGG COMPOUND
Manual Xref Database
C12643 KEGG COMPOUND
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Registry Numbers Types Sources
171828-62-9 CAS Registry Number KEGG COMPOUND
4914838 Beilstein Registry Number Beilstein
Last Modified
29 March 2018