CHEBI:6579 - luteolin 7-O-(6-O-malonyl-β-D-glucoside)

ChEBI IDCHEBI:6579
ChEBI Nameluteolin 7-O-(6-O-malonyl-β-D-glucoside)
Stars
ASCII Nameluteolin 7-O-(6-O-malonyl-beta-D-glucoside)
DefinitionA glycosyloxyflavone that is luteolin substituted by a 6-O-malonyl-β-D-glucopyranosyl moiety at position 7 via glycosidic linkage.
Last Modified28 July 2014
DownloadsMolfile
FormulaC24H22O14
Net Charge0
Average Mass534.426
Monoisotopic Mass534.10096
SMILESO=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H22O14/c25-11-2-1-9(3-12(11)26)15-6-14(28)20-13(27)4-10(5-16(20)37-15)36-24-23(34)22(33)21(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,21-27,32-34H,7-8H2,(H,29,30)/t17-,21-,22+,23-,24-/m1/s1
InChIKeyRNDGJCZQVKFBPI-ASDZUOGYSA-N
ChEBI Ontology
Outgoing Relation(s)
luteolin 7-O-(6-O-malonyl-β-D-glucoside) (CHEBI:6579) has functional parent luteolin (CHEBI:15864)
luteolin 7-O-(6-O-malonyl-β-D-glucoside) (CHEBI:6579) is a glycosyloxyflavone (CHEBI:50018)
luteolin 7-O-(6-O-malonyl-β-D-glucoside) (CHEBI:6579) is a malonate ester (CHEBI:38083)
luteolin 7-O-(6-O-malonyl-β-D-glucoside) (CHEBI:6579) is a trihydroxyflavone (CHEBI:27116)
luteolin 7-O-(6-O-malonyl-β-D-glucoside) (CHEBI:6579) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside
Synonyms  Source
Luteolin 7-O-(6''-malonylglucoside)KEGG COMPOUND
luteolin 7-O-(6-malonyl-β-D-glucoside)ChEBI
luteolin 7-O-β-D-(6''-O-malonyl) glucopyranosideChEBI
Manual XrefsDatabases
C10103KEGG COMPOUND
C00001067KNApSAcK
Registry NumbersSources
Reaxys:6554098Reaxys
CAS:98767-38-5KEGG COMPOUND