EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H13NO2S |
| Net Charge | 0 |
| Average Mass | 223.297 |
| Monoisotopic Mass | 223.06670 |
| SMILES | COC(=O)c1ccc2c(c1)N(C)CCS2 |
| InChI | InChI=1S/C11H13NO2S/c1-12-5-6-15-10-4-3-8(7-9(10)12)11(13)14-2/h3-4,7H,5-6H2,1-2H3 |
| InChIKey | IQNAPJUAVHYVQC-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid methyl ester (CHEBI:108433) is a benzothiazine (CHEBI:46899) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19809 | LINCS |