EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H32N2O2 |
| Net Charge | 0 |
| Average Mass | 356.510 |
| Monoisotopic Mass | 356.24638 |
| SMILES | CC=Cc1ccc([C@@H]2[C@@H](CO)N[C@@H]2CN(C(=O)C2CCC2)C(C)C)cc1 |
| InChI | InChI=1S/C22H32N2O2/c1-4-6-16-9-11-17(12-10-16)21-19(23-20(21)14-25)13-24(15(2)3)22(26)18-7-5-8-18/h4,6,9-12,15,18-21,23,25H,5,7-8,13-14H2,1-3H3/t19-,20-,21+/m1/s1 |
| InChIKey | HPOHRDWPCZRFFC-NJYVYQBISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-40107 (CHEBI:128553) is a azetidines (CHEBI:38777) |
| LSM-40107 (CHEBI:128553) is a benzenes (CHEBI:22712) |
| LSM-40107 (CHEBI:128553) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40107 | LINCS |