| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:10 UTC |
|---|
| Update Date | 2025-03-25 00:50:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02183443 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O6S |
|---|
| Molecular Mass | 258.0198 |
|---|
| SMILES | O=C(O)CS(=O)(=O)Cc1ccc(C(=O)O)cc1 |
|---|
| InChI Key | NMBGGOAKURQIER-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 derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessulfones |
|---|
| Substituents | carbonyl groupcarboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzoic acidorganooxygen compoundsulfone |
|---|
