| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:33 UTC |
|---|
| Update Date | 2025-03-25 00:53:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02200255 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H15N3O4S |
|---|
| Molecular Mass | 309.0783 |
|---|
| SMILES | Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(C(=O)O)cc1 |
|---|
| InChI Key | WBBSPKCKHJVZRH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonamides |
|---|
| Direct Parent | benzenesulfonamides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aminosulfonyl compoundsazacyclic compoundsbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidespyrazoles |
|---|
| Substituents | organosulfonic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundbenzoylorganosulfur compoundcarboxylic acid derivativepyrazoleorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidorganoheterocyclic compoundazolebenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundheteroaromatic compoundbenzoic acid or derivativesmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
