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CHEBI:169948 - quercetin 3-O-(6-O-malonyl-β-D-glucoside)(2−)

ChEBI IDCHEBI:169948
ChEBI Namequercetin 3-O-(6-O-malonyl-β-D-glucoside)(2−)
Stars
ASCII Namequercetin 3-O-(6-O-malonyl-beta-D-glucoside)(2-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC24H20O15
Net Charge-2
Average Mass548.409
Monoisotopic Mass548.08132
SMILESO=C([O-])CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc([O-])cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/p-2/t14-,18-,20+,21-,24+/m1/s1
InChIKeyNBQPHANHNTWDML-UJKBSQBPSA-L
ChEBI Ontology
Outgoing Relation(s)
quercetin 3-O-(6-O-malonyl-β-D-glucoside)(2−) (CHEBI:169948) is a flavonol 3-O-(6-O-malonyl-β-D-glucoside)(1−) (CHEBI:58034)
UniProt Name  Source
quercetin 3-O-(6-O-malonyl-β-D-glucoside)UniProt
Manual XrefsDatabases
CPD-21602MetaCyc
Citations