| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:27:03 UTC |
|---|
| Update Date | 2025-03-21 18:39:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00127156 |
|---|
| Frequency | 20.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O2S |
|---|
| Molecular Mass | 182.0402 |
|---|
| SMILES | CSCc1cccc(C(=O)O)c1 |
|---|
| InChI Key | OSXILDVPLLSASE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzoyl derivativescarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfenyl compounds |
|---|
| Substituents | carboxylic acidsulfenyl compounddialkylthioetherbenzoylorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzoic acidorganooxygen compound |
|---|
