| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:13:04 UTC |
|---|
| Update Date | 2025-03-25 00:58:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02231147 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H17NO4S |
|---|
| Molecular Mass | 271.0878 |
|---|
| SMILES | CCCCOS(=O)(=O)c1ccc(NC(C)=O)cc1 |
|---|
| InChI Key | NXYJCNOJIUJFCV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonic acids and derivatives |
|---|
| Direct Parent | benzenesulfonate esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acetamidesacetanilidesarylsulfonic acids and derivativesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfonic acid esterssecondary carboxylic acid amidessulfonyls |
|---|
| Substituents | organosulfonic acid or derivativesbenzenesulfonate estercarbonyl groupn-acetylarylaminen-arylamideorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidebenzenesulfonyl groupacetanilidecarboxamide grouporganosulfonic acid esteraromatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
