EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H27NO2 |
| Net Charge | 0 |
| Average Mass | 337.463 |
| Monoisotopic Mass | 337.20418 |
| SMILES | C#C[C@]1(O)CCC2C3CCC4=Cc5oncc5CC4(C)C3CCC21C |
| InChI | InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16?,17?,18?,20?,21?,22-/m0/s1 |
| InChIKey | POZRVZJJTULAOH-ZIKCMSSPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-6384 (CHEBI:95119) has parent hydride estrane (CHEBI:23966) |
| LSM-6384 (CHEBI:95119) is a steroid (CHEBI:35341) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6384 | LINCS |