EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H27N3O4 |
| Net Charge | 0 |
| Average Mass | 409.486 |
| Monoisotopic Mass | 409.20016 |
| SMILES | COc1ccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3C(=O)NC(C)C)cc1 |
| InChI | InChI=1S/C23H27N3O4/c1-14(2)24-23(29)26-19-12-25(22(28)15-8-10-16(30-3)11-9-15)18-7-5-4-6-17(18)21(19)20(26)13-27/h4-11,14,19-21,27H,12-13H2,1-3H3,(H,24,29)/t19-,20-,21+/m1/s1 |
| InChIKey | ZFSASZLDLYDYGX-NJYVYQBISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1S,2aS,8bS)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-oxomethyl]-N-propan-2-yl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide (CHEBI:128016) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39572 | LINCS |