| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:02 UTC |
|---|
| Update Date | 2025-03-21 18:34:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100585 |
|---|
| Frequency | 27.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H5ClO3S |
|---|
| Molecular Mass | 191.9648 |
|---|
| SMILES | O=S(=O)(O)c1ccc(Cl)cc1 |
|---|
| InChI Key | RJWBTWIBUIGANW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonic acids and derivatives |
|---|
| Direct Parent | benzenesulfonic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsaryl chloridesarylsulfonic acids and derivativesbenzenesulfonyl compoundschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganosulfonic acidssulfonyls |
|---|
| Substituents | aryl chloridechlorobenzeneorganosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganochlorideorganosulfonic acidbenzenesulfonateorganosulfur compoundorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativehalobenzenebenzenesulfonyl group |
|---|
