EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H26FN3O4 |
| Net Charge | 0 |
| Average Mass | 439.487 |
| Monoisotopic Mass | 439.19073 |
| SMILES | CC=Cc1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)[C@@H]2N1C(=O)c1ccc(F)cc1 |
| InChI | InChI=1S/C24H26FN3O4/c1-4-5-14-8-11-18-21-20(24(32)26(2)3)17(13-29)19(12-27(18)22(14)30)28(21)23(31)15-6-9-16(25)10-7-15/h4-11,17,19-21,29H,12-13H2,1-3H3/t17-,19-,20+,21+/m0/s1 |
| InChIKey | QHTBDTJLVQLHTQ-MJUUVYJYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-14578 (CHEBI:103234) is a carbonyl compound (CHEBI:36586) |
| LSM-14578 (CHEBI:103234) is a organohalogen compound (CHEBI:17792) |
| Manual Xrefs | Databases |
|---|---|
| LSM-14578 | LINCS |