| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:56:27 UTC |
|---|
| Update Date | 2025-03-25 00:52:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02193126 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H14O6S |
|---|
| Molecular Mass | 250.0511 |
|---|
| SMILES | CCCC=CC=CC(O)C(=O)OS(=O)(=O)O |
|---|
| InChI Key | XIHYYVYVVXYTRB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | sulfuric acid esters |
|---|
| Direct Parent | sulfuric acid monoesters |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholaliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
