| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:53 UTC |
|---|
| Update Date | 2025-03-25 00:46:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02155569 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O4S |
|---|
| Molecular Mass | 216.0456 |
|---|
| SMILES | Cc1ccc(OC(C)S(=O)(=O)O)cc1 |
|---|
| InChI Key | GLWYTYOAIMBDNB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | phenol ethers |
|---|
| Direct Parent | phenol ethers |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acidsphenoxy compoundssulfonylstoluenes |
|---|
| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietyorganosulfonic acidorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativephenoxy compoundtolueneorganooxygen compound |
|---|
