EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H27N3O3 |
| Net Charge | 0 |
| Average Mass | 393.487 |
| Monoisotopic Mass | 393.20524 |
| SMILES | CN(C)CC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)Cc3ccccc3)C[C@@H]21 |
| InChI | InChI=1S/C23H27N3O3/c1-24(2)14-22(29)26-19-13-25(21(28)12-16-8-4-3-5-9-16)18-11-7-6-10-17(18)23(19)20(26)15-27/h3-11,19-20,23,27H,12-15H2,1-2H3/t19-,20-,23+/m0/s1 |
| InChIKey | IKAOLLHWZROYFB-SXWKCWPCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[(1R,2aR,8bR)-2-[2-(dimethylamino)-1-oxoethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone (CHEBI:128366) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39921 | LINCS |