| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:17 UTC |
|---|
| Update Date | 2025-03-25 00:50:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02179150 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8O5S |
|---|
| Molecular Mass | 216.0092 |
|---|
| SMILES | CSOC(=O)c1cc(O)c(O)c(O)c1 |
|---|
| InChI Key | CJNFHNJNZIFNHN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | benzenetriols and derivatives |
|---|
| Direct Parent | pyrogallols and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acids and derivativesbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic thioperoxidesorganooxygen compoundssulfenyl compounds |
|---|
| Substituents | monocyclic benzene moietypyrogallol derivativesulfenyl compoundorganic thioperoxidebenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
|---|
