| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:54:47 UTC |
|---|
| Update Date | 2025-03-25 00:51:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02189421 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H14O4S |
|---|
| Molecular Mass | 230.0613 |
|---|
| SMILES | CC(C)c1cccc(O)c1OS(C)(=O)=O |
|---|
| InChI Key | WRWUKUHRQUDOOK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | cumenes |
|---|
| Direct Parent | cumenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidshydrocarbon derivativesmethanesulfonatesorganic oxidesorganooxygen compoundsorganosulfonic acid estersphenoxy compoundsphenylpropanessulfonic acid esterssulfonyls |
|---|
| Substituents | organosulfonic acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundorganosulfonic acid esterphenylpropanearomatic homomonocyclic compoundsulfonic acid estermethanesulfonateorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenolcumenehydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
