| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:04 UTC |
|---|
| Update Date | 2025-03-25 01:01:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02249549 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12O6S |
|---|
| Molecular Mass | 260.0355 |
|---|
| SMILES | Cc1cc(C(C)C(=O)OS(=O)(=O)O)ccc1O |
|---|
| InChI Key | GYQOQPMGIIDYAX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | cresols |
|---|
| Direct Parent | ortho cresols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidscarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesterstoluenes |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundo-cresolhydrocarbon derivativesulfuric acid estertolueneorganooxygen compound |
|---|
