| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:09:54 UTC |
|---|
| Update Date | 2025-03-25 00:57:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02224245 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H14O8S |
|---|
| Molecular Mass | 282.0409 |
|---|
| SMILES | O=C(CC1CCC(O)(C(=O)O)CC1)OS(=O)(=O)O |
|---|
| InChI Key | CPBSHVKKDOYLKX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | cyclohexanols |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessulfuric acid monoesterstertiary alcohols |
|---|
| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesalpha-hydroxy acidcyclohexanolhydroxy acidcyclic alcoholcarboxylic acid derivativetertiary alcoholorganic oxidealiphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativesulfuric acid ester |
|---|
