| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:20:53 UTC |
|---|
| Update Date | 2025-03-21 18:36:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00112478 |
|---|
| Frequency | 23.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8O6S |
|---|
| Molecular Mass | 232.0042 |
|---|
| SMILES | CC(=O)c1ccc(OS(=O)(=O)O)c(O)c1 |
|---|
| InChI Key | MPAODSDVFYZMLE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetophenonesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesteraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidphenylsulfateorganic oxideacetophenonearylsulfateorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esteralkyl-phenylketone |
|---|
