| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:41 UTC |
|---|
| Update Date | 2025-03-25 00:51:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02186911 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H8Cl3NO5S |
|---|
| Molecular Mass | 394.9189 |
|---|
| SMILES | NS(=O)(=O)c1cc(C(=O)O)c(Oc2ccc(Cl)c(Cl)c2)cc1Cl |
|---|
| InChI Key | PLDPQMMNQAJOIP-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 | 1-carboxy-2-haloaromatic compounds4-halobenzoic acidsaminosulfonyl compoundsaryl chloridesbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativesdiarylethersdichlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganochloridesorganosulfonamidesphenol ethersphenoxy compounds |
|---|
| Substituents | diaryl etherphenol etherorganosulfonic acid or derivativesethercarboxylic acidorganochloridebenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxide1,2-dichlorobenzene1-carboxy-2-haloaromatic compoundbenzoic acidbenzenesulfonyl grouparyl chloridechlorobenzenehalobenzoic acidbenzenesulfonamide4-halobenzoic acidaminosulfonyl compoundbenzoic acid or derivativeshalobenzoic acid or derivativesaryl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
|---|
