CHEBI:31965 - pelargonidin 3-O-(6-O-malonyl-β-D-glucoside)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pelargonidin 3-O-(6-O-malonyl-β-D-glucoside)
ChEBI ID CHEBI:31965
ChEBI ASCII Name pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)
Definition An anthocyanin cation consisting of pelargonidin 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
Download Molfile XML SDF
Formula C24H23O13
Net Charge +1
Average Mass 519.43160
Monoisotopic Mass 519.11332
InChI InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)23-16(7-13-14(27)5-12(26)6-15(13)35-23)36-24-22(33)21(32)20(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,20-22,24,31-33H,8-9H2,(H3-,25,26,27,28,29)/p+1/t17-,20-,21+,22-,24-/m1/s1
InChIKey XLZUBCUKXQFBKB-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)cc2)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing pelargonidin 3-O-(6-O-malonyl-β-D-glucoside) (CHEBI:31965) has functional parent pelargonidin (CHEBI:25863)
pelargonidin 3-O-(6-O-malonyl-β-D-glucoside) (CHEBI:31965) is a β-D-glucoside (CHEBI:22798)
pelargonidin 3-O-(6-O-malonyl-β-D-glucoside) (CHEBI:31965) is a anthocyanin cation (CHEBI:35218)
IUPAC Name
5,7-dihydroxy-2-(4-hydroxyphenyl)chromenium-3-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside
Synonym Source
Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside) KEGG COMPOUND
Manual Xrefs Databases
C00006755 KNApSAcK
C12642 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
165070-68-8 CAS Registry Number KEGG COMPOUND
4914695 Beilstein Registry Number Beilstein
Last Modified
28 July 2014