EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H33N3O3 |
| Net Charge | 0 |
| Average Mass | 411.546 |
| Monoisotopic Mass | 411.25219 |
| SMILES | CC=Cc1ccc([C@@H]2[C@@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CCC2)C3)cc1 |
| InChI | InChI=1S/C24H33N3O3/c1-4-6-17-9-11-18(12-10-17)22-20(14-28)27(21(29)13-25(2)3)24(22)15-26(16-24)23(30)19-7-5-8-19/h4,6,9-12,19-20,22,28H,5,7-8,13-16H2,1-3H3/t20-,22-/m1/s1 |
| InChIKey | YKXQHXUAVKYQBJ-IFMALSPDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-39248 (CHEBI:127691) is a azetidines (CHEBI:38777) |
| LSM-39248 (CHEBI:127691) is a benzenes (CHEBI:22712) |
| LSM-39248 (CHEBI:127691) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39248 | LINCS |