EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H31N3O |
| Net Charge | 0 |
| Average Mass | 365.521 |
| Monoisotopic Mass | 365.24671 |
| SMILES | CC=Cc1ccc([C@H]2[C@@H](CNC(C)C)N(Cc3cccnc3)[C@H]2CO)cc1 |
| InChI | InChI=1S/C23H31N3O/c1-4-6-18-8-10-20(11-9-18)23-21(14-25-17(2)3)26(22(23)16-27)15-19-7-5-12-24-13-19/h4-13,17,21-23,25,27H,14-16H2,1-3H3/t21-,22+,23+/m1/s1 |
| InChIKey | DCEGAELPEOMMPR-VJBWXMMDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-40827 (CHEBI:129276) is a azetidines (CHEBI:38777) |
| LSM-40827 (CHEBI:129276) is a benzenes (CHEBI:22712) |
| LSM-40827 (CHEBI:129276) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40827 | LINCS |