| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:48:26 UTC |
|---|
| Update Date | 2025-03-25 00:49:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02174893 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O4S |
|---|
| Molecular Mass | 204.0456 |
|---|
| SMILES | CCCC=CC=CC(=O)OS(=O)O |
|---|
| InChI Key | PCAHXLSQBOENFM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | monocarboxylic acids and derivatives |
|---|
| Direct Parent | monocarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundshydrocarbon derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
|---|
