| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:41 UTC |
|---|
| Update Date | 2025-03-25 00:54:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02207376 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6ClNO4S |
|---|
| Molecular Mass | 222.9706 |
|---|
| SMILES | Nc1cccc(OS(=O)(=O)O)c1Cl |
|---|
| InChI Key | LGIPPXIDNPTVPV-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 | aryl chlorideschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsprimary aminessulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesterorganochlorideorganohalogen compoundphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esteramineorganooxygen compound |
|---|
