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CHEBI:169949 - apigenin 7-O-(6-O-malonyl-β-D-glucoside)(2−)

Default Structure
ChEBI IDCHEBI:169949
ChEBI Nameapigenin 7-O-(6-O-malonyl-β-D-glucoside)(2−)
Stars
ASCII Nameapigenin 7-O-(6-O-malonyl-beta-D-glucoside)(2-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC24H20O13
Net Charge-2
Average Mass516.411
Monoisotopic Mass516.09149
SMILESO=C([O-])CC(=O)OC[C@H]1O[C@@H](Oc2cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)15-7-14(27)20-13(26)5-12(6-16(20)36-15)35-24-23(33)22(32)21(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,21-26,31-33H,8-9H2,(H,28,29)/p-2/t17-,21-,22+,23-,24-/m1/s1
InChIKeyJXWAQRJFONLTSI-ASDZUOGYSA-L
ChEBI Ontology
Outgoing Relation(s)
apigenin 7-O-(6-O-malonyl-β-D-glucoside)(2−) (CHEBI:169949) is a flavonol 7-O-(6-O-malonyl-β-D-glucoside)(1−) (CHEBI:142805)
UniProt Name  Source
apigenin 7-O-(6-O-malonyl-β-D-glucoside)UniProt
Citations