EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H20N2O3S |
| Net Charge | 0 |
| Average Mass | 344.436 |
| Monoisotopic Mass | 344.11946 |
| SMILES | CN1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2S(=O)(=O)c1ccccc1 |
| InChI | InChI=1S/C18H20N2O3S/c1-19-11-16-18(14-9-5-6-10-15(14)19)17(12-21)20(16)24(22,23)13-7-3-2-4-8-13/h2-10,16-18,21H,11-12H2,1H3/t16-,17+,18+/m1/s1 |
| InChIKey | MGMULPPYCMIXAA-SQNIBIBYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(1R,2aS,8bS)-2-(benzenesulfonyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol (CHEBI:129663) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41214 | LINCS |