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CHEBI:58913 - delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-β-D-glucoside-3'-O-β-D-glucoside(1−)

ChEBI IDCHEBI:58913
ChEBI Namedelphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-β-D-glucoside-3'-O-β-D-glucoside(1−)
Stars
ASCII Namedelphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-beta-D-glucoside-3'-O-beta-D-glucoside(1-)
DefinitionAnion of delphinidin delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside-3'-O-β-D-glucoside arising from deprotonation of the malonyl carboxy and 5-hydroxy groups.
Last Modified1 May 2017
DownloadsMolfile
FormulaC30H31O20
Net Charge-1
Average Mass711.558
Monoisotopic Mass711.14142
SMILESO=C([O-])CC(=O)OC[C@H]1O[C@@H](Oc2cc3c([O-])cc(O)cc3[o+]c2-c2cc(O)c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C30H32O20/c31-7-17-22(39)24(41)26(43)29(49-17)47-15-2-9(1-13(34)21(15)38)28-16(5-11-12(33)3-10(32)4-14(11)46-28)48-30-27(44)25(42)23(40)18(50-30)8-45-20(37)6-19(35)36/h1-5,17-18,22-27,29-31,39-44H,6-8H2,(H4-,32,33,34,35,36,38)/p-1/t17-,18-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1
InChIKeyYHLZPXCREROAPG-YEQKKNNOSA-M
ChEBI Ontology
Outgoing Relation(s)
delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-β-D-glucoside-3'-O-β-D-glucoside(1−) (CHEBI:58913) is a monocarboxylic acid anion (CHEBI:35757)
delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-β-D-glucoside-3'-O-β-D-glucoside(1−) (CHEBI:58913) is conjugate base of delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside-3'-O-β-D-glucoside (CHEBI:55336)
Incoming Relation(s)
delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside-3'-O-β-D-glucoside (CHEBI:55336) is conjugate acid of delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-β-D-glucoside-3'-O-β-D-glucoside(1−) (CHEBI:58913)
IUPAC Name 
2-[3-(β-D-glucopyranosyloxy)-4,5-dihydroxyphenyl]-7-hydroxy-5-oxidochromenium-3-yl 6-O-(carboxylatoacetyl)-β-D-glucopyranoside
Synonym  Source
delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-β-D-glucoside-3'-O-β-D-glucoside anionChEBI
UniProt Name  Source
delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside-3'-O-β-D-glucosideUniProt