| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:52 UTC |
|---|
| Update Date | 2025-03-21 18:33:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00097760 |
|---|
| Frequency | 28.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H5ClO5S |
|---|
| Molecular Mass | 235.9546 |
|---|
| SMILES | O=C(O)c1ccc(Cl)c(S(=O)(=O)O)c1 |
|---|
| InChI Key | WKRRNYRCYXPKBD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonic acids and derivatives |
|---|
| Direct Parent | 3-sulfobenzoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compounds4-halobenzoic acidsaryl chloridesarylsulfonic acids and derivativesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsorganosulfonic acidssulfonyls |
|---|
| Substituents | organosulfonic acid or derivativescarboxylic acidorganochlorideorganosulfonic acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxide3-sulfobenzoic acidbenzoic acidbenzenesulfonyl grouparyl chloridechlorobenzenehalobenzoic acid4-halobenzoic acid1-sulfo,2-unsubstituted aromatic compoundbenzoic acid or derivativeshalobenzoic acid or derivativesaryl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativehalobenzeneorganooxygen compound |
|---|
