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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name luteolin 7-O-(6-O-malonyl-β-D-glucoside)
ChEBI ID CHEBI:6579
ChEBI ASCII Name luteolin 7-O-(6-O-malonyl-beta-D-glucoside)
Definition A glycosyloxyflavone that is luteolin substituted by a 6-O-malonyl-β-D-glucopyranosyl moiety at position 7 via glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H22O14
Net Charge 0
Average Mass 534.42308
Monoisotopic Mass 534.10096
InChI InChI=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
InChIKey RNDGJCZQVKFBPI-ASDZUOGYSA-N
SMILES O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing 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 β-D-glucoside (CHEBI:22798)
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)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside
Synonyms Sources
Luteolin 7-O-(6''-malonylglucoside) KEGG COMPOUND
luteolin 7-O-(6-malonyl-β-D-glucoside) ChEBI
luteolin 7-O-β-D-(6''-O-malonyl) glucopyranoside ChEBI
Manual Xrefs Databases
C00001067 KNApSAcK
C10103 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
6554098 Reaxys Registry Number Reaxys
98767-38-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014