EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H29F3N2O |
| Net Charge | 0 |
| Average Mass | 382.470 |
| Monoisotopic Mass | 382.22320 |
| SMILES | CC=Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CCC(F)(F)F)C[C@@H]23)cc1 |
| InChI | InChI=1S/C21H29F3N2O/c1-2-5-16-6-8-17(9-7-16)20-18-14-25(13-10-21(22,23)24)11-3-4-12-26(18)19(20)15-27/h2,5-9,18-20,27H,3-4,10-15H2,1H3/t18-,19+,20-/m0/s1 |
| InChIKey | UEHQGHXOOPUZGH-ZCNNSNEGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-40489 (CHEBI:128937) is a azetidines (CHEBI:38777) |
| LSM-40489 (CHEBI:128937) is a benzenes (CHEBI:22712) |
| LSM-40489 (CHEBI:128937) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40489 | LINCS |