| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:30 UTC |
|---|
| Update Date | 2025-03-25 00:49:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02177398 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H21NO3S |
|---|
| Molecular Mass | 283.1242 |
|---|
| SMILES | Cc1ccc(S(=O)(=O)NCC2(O)CCCCC2)cc1 |
|---|
| InChI Key | LRCAVGLIZPGRTH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | toluenes |
|---|
| Direct Parent | p-toluenesulfonamides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundscyclic alcohols and derivativescyclohexanolshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidestertiary alcohols |
|---|
| Substituents | organosulfonic acid or derivativesorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compoundp-toluenesulfonamidecyclohexanolcyclic alcoholaromatic homomonocyclic compoundtertiary alcoholsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
