| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:12:44 UTC |
|---|
| Update Date | 2025-03-25 00:58:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02230369 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12O5S |
|---|
| Molecular Mass | 244.0405 |
|---|
| SMILES | CCS(=O)(=O)c1cc(CC(=O)O)ccc1O |
|---|
| InChI Key | AOABZFNCTCYVDC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonyl compounds |
|---|
| Direct Parent | benzenesulfonyl compounds |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfones |
|---|
| Substituents | carbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundphenolhydrocarbon derivativeorganooxygen compoundsulfonebenzenesulfonyl group |
|---|
