| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:06:13 UTC |
|---|
| Update Date | 2025-03-21 18:29:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00077069 |
|---|
| Frequency | 38.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O6S |
|---|
| Molecular Mass | 258.0198 |
|---|
| SMILES | O=C(CC(=O)OS(=O)(=O)O)Cc1ccccc1 |
|---|
| InChI Key | LCHAMLBLNYZYFR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | beta-keto acids and derivatives |
|---|
| Direct Parent | beta-keto acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzene and substituted derivativeshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativebeta-keto acidketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
|---|
