| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:39:52 UTC |
|---|
| Update Date | 2025-03-21 17:58:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00015139 |
|---|
| Frequency | 288.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O4S |
|---|
| Molecular Mass | 216.0456 |
|---|
| SMILES | CCc1ccc(OS(=O)(=O)OC)cc1 |
|---|
| InChI Key | INAKTBKINNORIY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | arylsulfates |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl sulfateshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid diesters |
|---|
| Substituents | monocyclic benzene moietyaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundsulfuric acid diesteralkyl sulfatehydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
