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CHEBI:2488 - Adifoline
| Formula | C22H20N2O7 |
| Net Charge | 0 |
| Average Mass | 424.409 |
| Monoisotopic Mass | 424.12705 |
| SMILES | [H][C@]12[C@@H](O)OC=C(C(=O)OC)[C@@]1([H])Cc1nc(C(=O)O)cc3c4cc(O)ccc4n(c13)[C@@H]2C |
| InChI | InChI=1S/C22H20N2O7/c1-9-18-12(14(21(28)30-2)8-31-22(18)29)6-15-19-13(7-16(23-15)20(26)27)11-5-10(25)3-4-17(11)24(9)19/h3-5,7-9,12,18,22,25,29H,6H2,1-2H3,(H,26,27)/t9-,12-,18-,22+/m1/s1 |
| InChIKey | DJWXVEDJWPDUBQ-DEALGVFLSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Adifoline (CHEBI:2488) is a indole alkaloid (CHEBI:38958) |
| Adifoline (CHEBI:2488) is a methyl ester (CHEBI:25248) |
| Synonym | Source |
|---|---|
| Adifoline | KEGG COMPOUND |