EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H24N2O3 |
| Net Charge | 0 |
| Average Mass | 316.401 |
| Monoisotopic Mass | 316.17869 |
| SMILES | CN1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 |
| InChI | InChI=1S/C18H24N2O3/c1-19-10-15-17(13-4-2-3-5-14(13)19)16(11-21)20(15)18(22)12-6-8-23-9-7-12/h2-5,12,15-17,21H,6-11H2,1H3/t15-,16+,17+/m0/s1 |
| InChIKey | QKACYWAOJYTRPY-GVDBMIGSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone (CHEBI:129505) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41056 | LINCS |