EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H31N3O2 |
| Net Charge | 0 |
| Average Mass | 393.531 |
| Monoisotopic Mass | 393.24163 |
| SMILES | CC=Cc1ccc([C@@H]2[C@H](CO)N[C@H]2CN(CC(C)C)C(=O)c2ccccn2)cc1 |
| InChI | InChI=1S/C24H31N3O2/c1-4-7-18-9-11-19(12-10-18)23-21(26-22(23)16-28)15-27(14-17(2)3)24(29)20-8-5-6-13-25-20/h4-13,17,21-23,26,28H,14-16H2,1-3H3/t21-,22-,23-/m0/s1 |
| InChIKey | OBKJPIVUKOQMKX-VABKMULXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-42556 (CHEBI:131008) is a azetidines (CHEBI:38777) |
| LSM-42556 (CHEBI:131008) is a benzenes (CHEBI:22712) |
| LSM-42556 (CHEBI:131008) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-42556 | LINCS |