| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:06 UTC |
|---|
| Update Date | 2025-03-21 18:07:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00067157 |
|---|
| Frequency | 45.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O7S |
|---|
| Molecular Mass | 262.0147 |
|---|
| SMILES | O=C(O)C(CO)c1cccc(OS(=O)(=O)O)c1 |
|---|
| InChI Key | XIHZUASAPYEPOD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | phenylsulfates |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsprimary alcoholssulfuric acid monoesters |
|---|
| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundphenylsulfatebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterprimary alcoholorganooxygen compound |
|---|
