| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:28:39 UTC |
|---|
| Update Date | 2025-03-21 18:40:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00131027 |
|---|
| Frequency | 19.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O7S |
|---|
| Molecular Mass | 274.0147 |
|---|
| SMILES | O=C(O)CC(=O)Cc1ccc(OS(=O)(=O)O)cc1 |
|---|
| InChI Key | YNPAANADMOVPHF-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 ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | beta-hydroxy ketonemonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidcarboxylic acid derivativebeta-keto acidketonearomatic homomonocyclic compoundphenylsulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
