| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:21:22 UTC |
|---|
| Update Date | 2025-03-21 18:37:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00113675 |
|---|
| Frequency | 23.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H6Cl2O5S |
|---|
| Molecular Mass | 271.9313 |
|---|
| SMILES | O=S(=O)(O)OCOc1ccc(Cl)cc1Cl |
|---|
| InChI Key | SAAQHTPLPQVJEF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | halobenzenes |
|---|
| Direct Parent | dichlorobenzenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl sulfatesaryl chlorideshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsphenol ethersphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | aryl chloridephenol ethersulfuric acid monoesterorganic sulfuric acid or derivativesorganochlorideorganohalogen compoundaryl halide1,3-dichlorobenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
