| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:06:46 UTC |
|---|
| Update Date | 2025-03-21 18:29:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00078445 |
|---|
| Frequency | 37.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O8S |
|---|
| Molecular Mass | 304.0253 |
|---|
| SMILES | O=C(CCc1ccc(O)c(O)c1)CC(=O)OS(=O)(=O)O |
|---|
| InChI Key | ODQPYFFWQCLFLX-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativeshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativebeta-keto acidketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
|---|
