| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:34 UTC |
|---|
| Update Date | 2025-03-25 00:50:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02179808 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10ClNO5S |
|---|
| Molecular Mass | 278.9968 |
|---|
| SMILES | COc1ccc(S(=O)(=O)NCC(=O)O)cc1Cl |
|---|
| InChI Key | QOXSLAXUTCEEQX-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 ethersalpha amino acidsaminosulfonyl compoundsanisolesaryl chloridesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenoxy compounds |
|---|
| Substituents | phenol etherorganosulfonic acid or derivativescarbonyl groupethercarboxylic acidorganochloridealpha-amino acid or derivativesalkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl grouparyl chloridechlorobenzenebenzenesulfonamideaminosulfonyl compoundmethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
|---|
