EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H29N3O2 |
| Net Charge | 0 |
| Average Mass | 379.504 |
| Monoisotopic Mass | 379.22598 |
| SMILES | CC=Cc1ccc([C@H]2[C@@H](CO)N(Cc3ccccn3)[C@@H]2CNC(=O)CC)cc1 |
| InChI | InChI=1S/C23H29N3O2/c1-3-7-17-9-11-18(12-10-17)23-20(14-25-22(28)4-2)26(21(23)16-27)15-19-8-5-6-13-24-19/h3,5-13,20-21,23,27H,4,14-16H2,1-2H3,(H,25,28)/t20-,21-,23-/m1/s1 |
| InChIKey | JQIVQIXEWIJDCO-MQSCRBSSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-37421 (CHEBI:125854) is a azetidines (CHEBI:38777) |
| LSM-37421 (CHEBI:125854) is a benzenes (CHEBI:22712) |
| LSM-37421 (CHEBI:125854) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37421 | LINCS |