EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H12O4S |
| Net Charge | 0 |
| Average Mass | 240.280 |
| Monoisotopic Mass | 240.04563 |
| SMILES | COC(=O)CSc1ccccc1C(=O)OC |
| InChI | InChI=1S/C11H12O4S/c1-14-10(12)7-16-9-6-4-3-5-8(9)11(13)15-2/h3-6H,7H2,1-2H3 |
| InChIKey | VXMQJUUBNSATNU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2-methoxy-2-oxoethyl)thio]benzoic acid methyl ester (CHEBI:120604) is a carbonyl compound (CHEBI:36586) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32047 | LINCS |