EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H14O3S2 |
| Net Charge | 0 |
| Average Mass | 306.408 |
| Monoisotopic Mass | 306.03844 |
| SMILES | Cc1ccc(SCC(=O)c2ccc(CC(=O)O)s2)cc1 |
| InChI | InChI=1S/C15H14O3S2/c1-10-2-4-11(5-3-10)19-9-13(16)14-7-6-12(20-14)8-15(17)18/h2-7H,8-9H2,1H3,(H,17,18) |
| InChIKey | ZMVCRIFYVTXPMQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[5-[2-[(4-methylphenyl)thio]-1-oxoethyl]-2-thiophenyl]acetic acid (CHEBI:109044) is a aryl sulfide (CHEBI:35683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20442 | LINCS |