| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:10:06 UTC |
|---|
| Update Date | 2025-03-21 18:31:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00086346 |
|---|
| Frequency | 33.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H15NO4S |
|---|
| Molecular Mass | 305.0722 |
|---|
| SMILES | Cc1cccc(C)c1NS(=O)(=O)c1ccc(C(=O)O)cc1 |
|---|
| InChI Key | ALOAIUJKCAFURK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | sulfanilides |
|---|
| Direct Parent | sulfanilides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesm-xylenes |
|---|
| Substituents | organosulfonic acid or derivativescarboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amidexyleneorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundm-xylenebenzoic acid or derivativesaromatic homomonocyclic compoundsulfanilidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
