| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:15 UTC |
|---|
| Update Date | 2025-03-21 18:03:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00043955 |
|---|
| Frequency | 77.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10O6S |
|---|
| Molecular Mass | 234.0198 |
|---|
| SMILES | Cc1cccc(O)c1OCOS(=O)(=O)O |
|---|
| InChI Key | SOMVFORELGEOJX-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfateshydrocarbon derivativesmeta cresolsorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesterstoluenes |
|---|
| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesm-cresol1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid estertolueneorganooxygen compound |
|---|
