EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H32N2O3 |
| Net Charge | 0 |
| Average Mass | 396.531 |
| Monoisotopic Mass | 396.24129 |
| SMILES | CC=Cc1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CN(C)C(=O)CC2CC2)cc1 |
| InChI | InChI=1S/C24H32N2O3/c1-3-4-16-7-9-18(10-8-16)23-20(14-25(2)22(28)13-17-5-6-17)26(21(23)15-27)24(29)19-11-12-19/h3-4,7-10,17,19-21,23,27H,5-6,11-15H2,1-2H3/t20-,21+,23+/m0/s1 |
| InChIKey | YSSXVWIIEMOJRT-QZNHQXDQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-42400 (CHEBI:130851) is a azetidines (CHEBI:38777) |
| LSM-42400 (CHEBI:130851) is a benzenes (CHEBI:22712) |
| LSM-42400 (CHEBI:130851) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-42400 | LINCS |