| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:38:30 UTC |
|---|
| Update Date | 2025-03-21 17:58:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00012009 |
|---|
| Frequency | 381.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8O6S |
|---|
| Molecular Mass | 232.0042 |
|---|
| SMILES | Cc1c(O)cccc1C(=O)OS(=O)(=O)O |
|---|
| InChI Key | XHVFUCNJOVZOAX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsortho cresolssulfuric acid monoesterstoluenes |
|---|
| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundo-cresolphenolhydrocarbon derivativesulfuric acid estertolueneorganooxygen compound |
|---|
