| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:34 UTC |
|---|
| Update Date | 2025-03-25 00:50:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02179803 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H23NO4S |
|---|
| Molecular Mass | 313.1348 |
|---|
| SMILES | COc1ccc(S(=O)(=O)N(C)CC(O)C2CCCC2)cc1 |
|---|
| InChI Key | LESBWORQKVYQOH-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 | alkyl aryl ethersaminosulfonyl compoundsanisolesbenzenesulfonyl compoundshydrocarbon derivativesmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenoxy compoundssecondary alcohols |
|---|
| Substituents | phenol etherorganosulfonic acid or derivativesetheralkyl aryl etherorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compoundmethoxybenzenearomatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
