EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H24N2O3 |
| Net Charge | 0 |
| Average Mass | 364.445 |
| Monoisotopic Mass | 364.17869 |
| SMILES | CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Cc1ccccc1)C2 |
| InChI | InChI=1S/C22H24N2O3/c1-16(26)24-19(13-25)21(18-10-6-3-7-11-18)22(24)14-23(15-22)20(27)12-17-8-4-2-5-9-17/h2-11,19,21,25H,12-15H2,1H3/t19-,21-/m1/s1 |
| InChIKey | WRQVGPWQOMBXQV-TZIWHRDSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-phenylethanone (CHEBI:126191) is a azetidines (CHEBI:38777) |
| 1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-phenylethanone (CHEBI:126191) is a benzenes (CHEBI:22712) |
| 1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-phenylethanone (CHEBI:126191) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37758 | LINCS |