| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:37 UTC |
|---|
| Update Date | 2025-03-21 18:41:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00135430 |
|---|
| Frequency | 18.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8O3S |
|---|
| Molecular Mass | 196.0194 |
|---|
| SMILES | O=C(O)C(=O)CSc1ccccc1 |
|---|
| InChI Key | WDPIASYAQKMUAI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | thiophenols |
|---|
| Subclass | thiophenols |
|---|
| Direct Parent | thiophenols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkylarylthioethersalpha-hydroxy ketonesalpha-keto acids and derivativesbenzene and substituted derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compoundsthiophenol ethers |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidsulfenyl compoundalkylarylthioetherorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativearyl thioetherketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthiophenolorganic oxygen compoundthioetherketo acidthiophenol etheralpha-keto acidhydrocarbon derivativeorganooxygen compound |
|---|
