EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H25FN2O3 |
| Net Charge | 0 |
| Average Mass | 408.473 |
| Monoisotopic Mass | 408.18492 |
| SMILES | CC=Cc1ccc([C@@H]2[C@H](CO)N(C(C)=O)C23CN(C(=O)c2ccc(F)cc2)C3)cc1 |
| InChI | InChI=1S/C24H25FN2O3/c1-3-4-17-5-7-18(8-6-17)22-21(13-28)27(16(2)29)24(22)14-26(15-24)23(30)19-9-11-20(25)12-10-19/h3-12,21-22,28H,13-15H2,1-2H3/t21-,22+/m0/s1 |
| InChIKey | UMQKOXBCRQKPPG-FCHUYYIVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-37494 (CHEBI:125927) is a azetidines (CHEBI:38777) |
| LSM-37494 (CHEBI:125927) is a benzenes (CHEBI:22712) |
| LSM-37494 (CHEBI:125927) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37494 | LINCS |