| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:31 UTC |
|---|
| Update Date | 2025-03-25 00:53:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02202439 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8O2S2 |
|---|
| Molecular Mass | 187.9966 |
|---|
| SMILES | CSc1ccc(CC(=O)O)s1 |
|---|
| InChI Key | WCYSBBRUUHBQHL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organosulfur compounds |
|---|
| Class | thioethers |
|---|
| Subclass | aryl thioethers |
|---|
| Direct Parent | aryl thioethers |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2,5-disubstituted thiophenesalkylarylthioetherscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compounds |
|---|
| Substituents | 2,5-disubstituted thiophenecarbonyl groupcarboxylic acidsulfenyl compoundaromatic heteromonocyclic compoundheteroaromatic compoundthiophenealkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
|---|
