| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:40 UTC |
|---|
| Update Date | 2025-03-25 00:54:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02207345 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8N2O4S |
|---|
| Molecular Mass | 204.0205 |
|---|
| SMILES | Nc1ccc(S(=O)(=O)O)c(O)c1N |
|---|
| InChI Key | YQQQLEQHJXETAJ-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-4-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 acidbenzenesulfonateorganosulfur compound1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundbenzenesulfonyl group |
|---|
