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CHEBI:55334 - delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside

ChEBI IDCHEBI:55334
ChEBI Namedelphinidin 3-O-(6''-O-malonyl)-β-D-glucoside
Stars
ASCII Namedelphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside
DefinitionA β-D-glucoside having a malonyl group at the 6-position and a 3-O-delphinidin moiety at the anomeric position.
Last Modified28 January 2010
SubmitterSteve
DownloadsMolfile
FormulaC24H23O15
Net Charge+1
Average Mass551.433
Monoisotopic Mass551.10315
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-O
ChEBI Ontology
Outgoing Relation(s)
delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside (CHEBI:55334) has functional parent delphinidin (CHEBI:28436)
delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside (CHEBI:55334) is a anthocyanin cation (CHEBI:35218)
delphinidin 3-O-(6''-O-malonyl)-β-D-glucoside (CHEBI:55334) is a β-D-glucoside (CHEBI:22798)
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)
Incoming Relation(s)
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)
IUPAC Name 
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside
Synonym  Source
Delphinidin 3-O-(6-O-malonyl-beta-D-glucoside)KEGG COMPOUND
Manual XrefsDatabases
C16301KEGG COMPOUND
Registry NumbersSources
Beilstein:9375998Beilstein