EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H33N3O3 |
| Net Charge | 0 |
| Average Mass | 399.535 |
| Monoisotopic Mass | 399.25219 |
| SMILES | CC=Cc1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(C)C(=O)NC2CCCC2)cc1 |
| InChI | InChI=1S/C23H33N3O3/c1-4-7-17-10-12-18(13-11-17)22-20(26(16(2)28)21(22)15-27)14-25(3)23(29)24-19-8-5-6-9-19/h4,7,10-13,19-22,27H,5-6,8-9,14-15H2,1-3H3,(H,24,29)/t20-,21+,22-/m0/s1 |
| InChIKey | HQXBDHRGIAAEDE-BDTNDASRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-40855 (CHEBI:129304) is a azetidines (CHEBI:38777) |
| LSM-40855 (CHEBI:129304) is a benzenes (CHEBI:22712) |
| LSM-40855 (CHEBI:129304) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40855 | LINCS |