EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H25FN2O2 |
| Net Charge | 0 |
| Average Mass | 380.463 |
| Monoisotopic Mass | 380.19001 |
| SMILES | CC=Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(Cc4ccc(F)cc4)C[C@@H]23)cc1 |
| InChI | InChI=1S/C23H25FN2O2/c1-2-3-16-4-8-18(9-5-16)23-20-13-25(12-17-6-10-19(24)11-7-17)14-22(28)26(20)21(23)15-27/h2-11,20-21,23,27H,12-15H2,1H3/t20-,21+,23+/m0/s1 |
| InChIKey | HFXWOQOWUWFQKI-QZNHQXDQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-40708 (CHEBI:129157) is a azetidines (CHEBI:38777) |
| LSM-40708 (CHEBI:129157) is a benzenes (CHEBI:22712) |
| LSM-40708 (CHEBI:129157) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40708 | LINCS |