| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:40:17 UTC |
|---|
| Update Date | 2025-03-21 17:58:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00016009 |
|---|
| Frequency | 269.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H11NO4S |
|---|
| Molecular Mass | 217.0409 |
|---|
| SMILES | NCCc1ccc(O)c(S(=O)(=O)O)c1 |
|---|
| InChI Key | YXUCVXUYDSEBQT-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 derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidssulfonyls |
|---|
| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidbenzenesulfonateorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundbenzenesulfonyl group |
|---|
