EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H19FN2O2 |
| Net Charge | 0 |
| Average Mass | 326.371 |
| Monoisotopic Mass | 326.14306 |
| SMILES | O=C1CNC[C@@H]2[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H](CO)N12 |
| InChI | InChI=1S/C19H19FN2O2/c20-15-4-2-1-3-14(15)12-5-7-13(8-6-12)19-16-9-21-10-18(24)22(16)17(19)11-23/h1-8,16-17,19,21,23H,9-11H2/t16-,17-,19+/m1/s1 |
| InChIKey | QNQAIUGVNQWQIS-LMMKCTJWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (6S,7S,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129235) is a biphenyls (CHEBI:22888) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40786 | LINCS |