EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H30N2O2 |
| Net Charge | 0 |
| Average Mass | 354.494 |
| Monoisotopic Mass | 354.23073 |
| SMILES | O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CC1 |
| InChI | InChI=1S/C22H30N2O2/c25-13-19-20(17-6-2-1-3-7-17)22(24(19)12-16-10-11-16)14-23(15-22)21(26)18-8-4-5-9-18/h1-3,6-7,16,18-20,25H,4-5,8-15H2/t19-,20+/m0/s1 |
| InChIKey | ZOVGZWZPHZVLOP-VQTJNVASSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cyclopentyl-[(2R,3R)-1-(cyclopropylmethyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone (CHEBI:126183) is a azetidines (CHEBI:38777) |
| cyclopentyl-[(2R,3R)-1-(cyclopropylmethyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone (CHEBI:126183) is a benzenes (CHEBI:22712) |
| cyclopentyl-[(2R,3R)-1-(cyclopropylmethyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone (CHEBI:126183) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37750 | LINCS |