| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:43:03 UTC |
|---|
| Update Date | 2025-03-21 17:59:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00022164 |
|---|
| Frequency | 179.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H8Cl3NO4S |
|---|
| Molecular Mass | 366.924 |
|---|
| SMILES | NS(=O)(=O)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl |
|---|
| InChI Key | QTGYTWIOKOUEPB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | diphenylethers |
|---|
| Direct Parent | diphenylethers |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aryl chloridesdiarylethersdichlorobenzeneshydrocarbon derivativesorganic nitrogen compoundsorganic oxidesorganic sulfuric acids and derivativesorganochloridesphenol ethersphenoxy compounds |
|---|
| Substituents | aryl chloridechlorobenzenediaryl etherphenol etheretherorganic sulfuric acid or derivativesorganochlorideorganohalogen compoundaryl halide1,3-dichlorobenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
|---|
