| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:37:12 UTC |
|---|
| Update Date | 2025-03-21 17:57:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00008955 |
|---|
| Frequency | 541.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H7Cl3O5S |
|---|
| Molecular Mass | 367.908 |
|---|
| SMILES | O=S(=O)(O)Oc1ccc(Cl)cc1Oc1ccc(Cl)cc1Cl |
|---|
| InChI Key | GPXGZSDYMKLHOC-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 oxidesorganochloridesphenol ethersphenoxy compoundsphenylsulfatessulfuric acid monoesters |
|---|
| Substituents | diaryl etherphenol ethersulfuric acid monoesteretherorganochlorideorganohalogen compound1,3-dichlorobenzenephenylsulfateorganic oxidearylsulfatearyl chloridechlorobenzeneorganic sulfuric acid or derivativesaryl halidearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterhydrocarbon derivativehalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
|---|
