| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:32 UTC |
|---|
| Update Date | 2025-03-25 00:50:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02179713 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8O4S |
|---|
| Molecular Mass | 212.0143 |
|---|
| SMILES | CS(=O)(=O)C(=O)C(=O)c1ccccc1 |
|---|
| InChI Key | QIVUSHPPYDPYQR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoyl derivatives |
|---|
| Direct Parent | benzoyl derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aryl ketonescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessulfonesthiolactones |
|---|
| Substituents | carbonyl groupbenzoylorganosulfur compoundcarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundhydrocarbon derivativethiolactoneorganooxygen compoundsulfonearyl ketone |
|---|
