| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:56:20 UTC |
|---|
| Update Date | 2025-03-21 18:04:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00053531 |
|---|
| Frequency | 60.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8ClNO6S |
|---|
| Molecular Mass | 280.9761 |
|---|
| SMILES | O=C(CO)Nc1ccc(Cl)cc1OS(=O)(=O)O |
|---|
| InChI Key | JAHKEMJFRNPJEG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | phenylsulfates |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alcohols and polyolsanilidesaryl chloridescarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshydrocarbon derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouporganochloriden-arylamidecarboxylic acid derivativeorganohalogen compoundphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzenealcoholcarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
