| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:50:59 UTC |
|---|
| Update Date | 2025-03-21 18:02:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00040870 |
|---|
| Frequency | 84.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H21NO3S |
|---|
| Molecular Mass | 283.1242 |
|---|
| SMILES | CCCN(CCC)S(=O)(=O)c1ccc(C(C)=O)cc1 |
|---|
| InChI Key | RCIWAMFDXROQGE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acetophenonesaminosulfonyl compoundsaryl alkyl ketonesbenzenesulfonamidesbenzenesulfonyl compoundsbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamides |
|---|
| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyaryl alkyl ketonebenzoylorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundacetophenoneorganopnictogen compoundbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundaromatic homomonocyclic compoundsulfonylorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
|---|
