EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H12N2O3S |
| Net Charge | 0 |
| Average Mass | 252.295 |
| Monoisotopic Mass | 252.05686 |
| SMILES | CC(c1cc2ccc(O)cc2s1)N(O)C(N)=O |
| InChI | InChI=1S/C11H12N2O3S/c1-6(13(16)11(12)15)9-4-7-2-3-8(14)5-10(7)17-9/h2-6,14,16H,1H3,(H2,12,15) |
| InChIKey | ZQQVPNNYZLDMMO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| hydroxyzileuton (CHEBI:145222) is a 1-benzothiophenes (CHEBI:38836) |
| Manual Xrefs | Databases |
|---|---|
| HMDB0013968 | HMDB |