| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:58:03 UTC |
|---|
| Update Date | 2025-03-21 18:05:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00057536 |
|---|
| Frequency | 55.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H7NO3S |
|---|
| Molecular Mass | 173.0147 |
|---|
| SMILES | Nc1cccc(S(=O)(=O)O)c1 |
|---|
| InChI Key | ZAJAQTYSTDTMCU-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-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidsprimary aminessulfonyls |
|---|
| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidbenzenesulfonateorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundaminebenzenesulfonyl group |
|---|
