| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:43:30 UTC |
|---|
| Update Date | 2025-03-21 17:59:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00023131 |
|---|
| Frequency | 170.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H5Cl2NO4S |
|---|
| Molecular Mass | 268.9316 |
|---|
| SMILES | NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl |
|---|
| InChI Key | ZSHHRBYVHTVRFK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | dichlorobenzoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halobenzoic acids4-halobenzoic acidsaminosulfonyl compoundsaryl chloridesbenzenesulfonamidesbenzenesulfonyl compoundsbenzoyl derivativesdichlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganochloridesorganooxygen compoundsorganosulfonamidesvinylogous halides |
|---|
| Substituents | organosulfonic acid or derivatives2-halobenzoic acidcarboxylic acidorganochloridebenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneorganosulfonic acid amideorganic oxide1-carboxy-2-haloaromatic compoundbenzenesulfonyl grouparyl chloridechlorobenzene2,4-dichlorobenzoic acidhalobenzoic acidbenzenesulfonamide4-halobenzoic acidaminosulfonyl compoundhalobenzoic acid or derivativesvinylogous halide2-halobenzoic acid or derivativesaryl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
