| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:42 UTC |
|---|
| Update Date | 2025-03-25 00:47:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02164021 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18O6S |
|---|
| Molecular Mass | 290.0824 |
|---|
| SMILES | CC1=CC(=O)CC(C)(C)C1CCC(=O)OS(=O)(=O)O |
|---|
| InChI Key | GEPUYYUWQRSSPY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | cyclohexenones |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
|---|
| Substituents | cyclohexenonesulfuric acid monoesterorganic sulfuric acid or derivativescarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesaliphatic homomonocyclic compoundhydrocarbon derivativesulfuric acid ester |
|---|
