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CHEBI:58911 - delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-β-D-glucoside(1−)

ChEBI IDCHEBI:58911
ChEBI Namedelphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-β-D-glucoside(1−)
Stars
ASCII Namedelphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-beta-D-glucoside(1-)
DefinitionAnion of delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside arising from deprotonation of the malonyl carboxy and 5-hydroxy groups.
Last Modified11 June 2014
DownloadsMolfile
FormulaC24H21O15
Net Charge-1
Average Mass549.417
Monoisotopic Mass549.08859
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-1/t16-,20-,21+,22-,24-/m1/s1
InChIKeyFNFHDAUGLIPVPU-XQKZCQIMSA-M
ChEBI Ontology
Outgoing Relation(s)
delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-β-D-glucoside(1−) (CHEBI:58911) is a monocarboxylic acid anion (CHEBI:35757)
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)
delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-β-D-glucoside(1−) (CHEBI:58911) is conjugate base of delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside (CHEBI:55334)
Incoming Relation(s)
delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside (CHEBI:55334) is conjugate acid of delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-β-D-glucoside(1−) (CHEBI:58911)
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)
IUPAC Name 
7-hydroxy-5-oxido-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl 6-O-(carboxylatoacetyl)-β-D-glucopyranoside
Synonym  Source
delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside anionChEBI