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CHEBI:77887 - delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside(2−)

ChEBI IDCHEBI:77887
ChEBI Namedelphinidin 3-O-(6''-O-malonyl)-β-D-glucoside(2−)
Stars
ASCII Namedelphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside(2-)
DefinitionAn organic anion obtained by deprotonation of the malonyl carboxy as well as the 5- and 7-hydroxy groups of delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified11 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC24H20O15
Net Charge-2
Average Mass548.409
Monoisotopic Mass548.08132
SMILESO=C([O-])CC(=O)OC[C@H]1O[C@@H](Oc2cc3c([O-])cc([O-])cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H22O15/c25-9-3-11(26)10-5-15(23(37-14(10)4-9)8-1-12(27)19(32)13(28)2-8)38-24-22(35)21(34)20(33)16(39-24)7-36-18(31)6-17(29)30/h1-5,16,20-22,24,33-35H,6-7H2,(H5-,25,26,27,28,29,30,32)/p-2/t16-,20-,21+,22-,24-/m1/s1
InChIKeyFNFHDAUGLIPVPU-XQKZCQIMSA-L
ChEBI Ontology
Outgoing Relation(s)
delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside(2−) (CHEBI:77887) is a organic anion (CHEBI:25696)
delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside(2−) (CHEBI:77887) is conjugate base of delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-β-D-glucoside(1−) (CHEBI:58911)
Incoming Relation(s)
delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-β-D-glucoside(1−) (CHEBI:58911) is conjugate acid of delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside(2−) (CHEBI:77887)
IUPAC Name 
5,7-dioxido-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl 6-O-(carboxylatoacetyl)-β-D-glucopyranoside
UniProt Name  Source
delphinidin 3-O-(6''-O-malonyl)-β-D-glucosideUniProt