| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:47:08 UTC |
|---|
| Update Date | 2025-03-21 18:01:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00031656 |
|---|
| Frequency | 116.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H6O5S |
|---|
| Molecular Mass | 201.9936 |
|---|
| SMILES | O=C(O)c1ccc(OS(=O)O)cc1 |
|---|
| InChI Key | RZDPXOGFCYTVDW-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 acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenoxy compounds |
|---|
| Substituents | carboxylic acidbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzoic acidphenoxy compoundorganooxygen compound |
|---|
