| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:53 UTC |
|---|
| Update Date | 2025-03-25 00:46:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02155583 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H7FO4S |
|---|
| Molecular Mass | 206.0049 |
|---|
| SMILES | Cc1ccc(F)c(OS(=O)(=O)O)c1 |
|---|
| InChI Key | CMISGSHJVJVORY-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 fluoridesfluorobenzeneshydrocarbon derivativesorganic oxidesorganofluoridesorganooxygen compoundsphenoxy compoundssulfuric acid monoesterstoluenes |
|---|
| Substituents | aryl fluoridemonocyclic benzene moietysulfuric acid monoesterorganofluorideorganohalogen compoundaryl halidearomatic homomonocyclic compoundphenylsulfatefluorobenzeneorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid estertolueneorganooxygen compound |
|---|
