EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H30N2O |
| Net Charge | 0 |
| Average Mass | 314.473 |
| Monoisotopic Mass | 314.23581 |
| SMILES | OC[C@@H]1[C@H](c2ccccc2)[C@@H](CNCC2CCC2)N1CC1CC1 |
| InChI | InChI=1S/C20H30N2O/c23-14-19-20(17-7-2-1-3-8-17)18(22(19)13-16-9-10-16)12-21-11-15-5-4-6-15/h1-3,7-8,15-16,18-21,23H,4-6,9-14H2/t18-,19-,20-/m1/s1 |
| InChIKey | AUUWENATWORZMB-VAMGGRTRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2S,3R,4S)-4-[(cyclobutylmethylamino)methyl]-1-(cyclopropylmethyl)-3-phenyl-2-azetidinyl]methanol (CHEBI:130468) is a azetidines (CHEBI:38777) |
| [(2S,3R,4S)-4-[(cyclobutylmethylamino)methyl]-1-(cyclopropylmethyl)-3-phenyl-2-azetidinyl]methanol (CHEBI:130468) is a benzenes (CHEBI:22712) |
| [(2S,3R,4S)-4-[(cyclobutylmethylamino)methyl]-1-(cyclopropylmethyl)-3-phenyl-2-azetidinyl]methanol (CHEBI:130468) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-42017 | LINCS |