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CHEBI:182417 - Quinaglute
| Formula | C20H24N2O2 |
| Net Charge | 0 |
| Average Mass | 324.424 |
| Monoisotopic Mass | 324.18378 |
| SMILES | [H][C@]1([C@@H](O)c2ccnc3ccc(OC)cc23)CC2CCN1C[C@@H]2C=C |
| InChI | InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19+,20-/m0/s1 |
| InChIKey | LOUPRKONTZGTKE-NBGVHYBESA-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) |
| Quinaglute (CHEBI:182417) is a cinchona alkaloid (CHEBI:51323) |
| IUPAC Name |
|---|
| (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol |