| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:59 UTC |
|---|
| Update Date | 2025-03-21 18:34:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00102959 |
|---|
| Frequency | 26.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H11NO4S |
|---|
| Molecular Mass | 229.0409 |
|---|
| SMILES | O=C(NCCS(=O)(=O)O)c1ccccc1 |
|---|
| InChI Key | ABUKAMCDAHVPSR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzamides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfonyls |
|---|
| Substituents | organosulfonic acid or derivativesorganosulfonic acidbenzoylorganosulfur compoundcarboxamide groupcarboxylic acid derivativebenzamidearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
