| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:22 UTC |
|---|
| Update Date | 2025-03-21 18:34:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00101399 |
|---|
| Frequency | 26.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H21NO4S |
|---|
| Molecular Mass | 299.1191 |
|---|
| SMILES | CCCN(CCC)S(=O)(=O)c1ccc(CC(=O)O)cc1 |
|---|
| InChI Key | HKPUWTCZROOQLZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonamides |
|---|
| Direct Parent | benzenesulfonamides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aminosulfonyl compoundsbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
|---|
| Substituents | organosulfonic acid or derivativescarbonyl groupbenzenesulfonamidecarboxylic acidaminosulfonyl compoundorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundbenzenesulfonyl group |
|---|
