| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:57:52 UTC |
|---|
| Update Date | 2025-03-21 18:05:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00057087 |
|---|
| Frequency | 55.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10O4S |
|---|
| Molecular Mass | 202.03 |
|---|
| SMILES | CC(OS(=O)(=O)O)c1ccccc1 |
|---|
| InChI Key | VNDBLVCYRNEQQV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzene and substituted derivatives |
|---|
| Direct Parent | benzene and substituted derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl sulfateshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
|---|
