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CHEBI:166640 - Apigenin 7-O-(6-malonyl-beta-D-glucoside)
| Formula | C24H22O13 |
| Net Charge | 0 |
| Average Mass | 518.427 |
| Monoisotopic Mass | 518.10604 |
| SMILES | O=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 |
| InChI | InChI=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)/t17-,21-,22+,23-,24-/m1/s1 |
| InChIKey | JXWAQRJFONLTSI-ASDZUOGYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Apigenin 7-O-(6-malonyl-beta-D-glucoside) (CHEBI:166640) is a flavonoids (CHEBI:72544) |
| Apigenin 7-O-(6-malonyl-beta-D-glucoside) (CHEBI:166640) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid |
| Registry Numbers | Sources |
|---|---|
| CAS:86546-87-4 | ChemIDplus |