| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:14 UTC |
|---|
| Update Date | 2025-03-25 00:53:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02199516 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15NO4S |
|---|
| Molecular Mass | 257.0722 |
|---|
| SMILES | Cc1ccccc1C(=O)NCCCS(=O)(=O)O |
|---|
| InChI Key | WLJDCVJDDGXNDW-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 amidessulfonylso-toluamides |
|---|
| Substituents | organosulfonic acid or derivativesorganosulfonic acidbenzoylorganosulfur compoundcarboxylic acid derivativetoluamidebenzamideorganic oxideo-toluamideorganonitrogen compoundorganopnictogen compoundcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundtolueneorganooxygen compound |
|---|
