| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:49:49 UTC |
|---|
| Update Date | 2025-03-21 18:02:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00038139 |
|---|
| Frequency | 91.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H7NO4S |
|---|
| Molecular Mass | 189.0096 |
|---|
| SMILES | Nc1ccc(O)cc1S(=O)(=O)O |
|---|
| InChI Key | CUJUIWCKLGAJMY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonic acids and derivatives |
|---|
| Direct Parent | benzenesulfonic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidsprimary aminessulfonyls |
|---|
| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidbenzenesulfonateorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundbenzenesulfonyl group |
|---|
