EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H18N2O3S |
| Net Charge | 0 |
| Average Mass | 330.409 |
| Monoisotopic Mass | 330.10381 |
| SMILES | O=S(=O)(c1ccccc1)N1[C@@H]2CNc3ccccc3[C@@H]2[C@@H]1CO |
| InChI | InChI=1S/C17H18N2O3S/c20-11-16-17-13-8-4-5-9-14(13)18-10-15(17)19(16)23(21,22)12-6-2-1-3-7-12/h1-9,15-18,20H,10-11H2/t15-,16+,17+/m1/s1 |
| InChIKey | LAXPPDRCOQDHEG-IKGGRYGDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(1R,2aS,8bS)-2-(benzenesulfonyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol (CHEBI:128306) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39861 | LINCS |