EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H21NS |
| Net Charge | 0 |
| Average Mass | 295.451 |
| Monoisotopic Mass | 295.13947 |
| SMILES | CSc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1 |
| InChI | InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m0/s1 |
| InChIKey | YVKDUIAAPBKHMJ-RBUKOAKNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (6S,10bR)-6-[4-(methylthio)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline (CHEBI:125586) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37128 | LINCS |