| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:18 UTC |
|---|
| Update Date | 2025-03-25 00:47:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02163124 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O5S |
|---|
| Molecular Mass | 189.9936 |
|---|
| SMILES | O=C(O)C1=C(O)SC(C(=O)O)C1 |
|---|
| InChI Key | MSIJNTBGCGDPSK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | dicarboxylic acids and derivatives |
|---|
| Direct Parent | dicarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidsdihydrothiopheneshydrocarbon derivativesorganic oxidesvinylogous acidsvinylogous thioesters |
|---|
| Substituents | vinylogous thioestercarbonyl groupcarboxylic acid2,3-dihydrothiophenevinylogous acidorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
|---|
