| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:39:22 UTC |
|---|
| Update Date | 2025-03-21 17:58:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00013999 |
|---|
| Frequency | 316.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H6O4S |
|---|
| Molecular Mass | 185.9987 |
|---|
| SMILES | O=C(O)c1ccc(S(=O)O)cc1 |
|---|
| InChI Key | NQDSVALAUVWDQL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | p-sulfanylbenzoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganosulfur compoundssulfinic acids |
|---|
| Substituents | carboxylic acidsulfinic acid derivativebenzoylorganosulfur compoundcarboxylic acid derivativep-sulfanylbenzoic acidsulfinic acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzoic acidorganooxygen compound |
|---|
