| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:08 UTC |
|---|
| Update Date | 2025-03-25 01:01:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02249707 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H7BrO4S |
|---|
| Molecular Mass | 265.9248 |
|---|
| SMILES | Cc1ccc(OS(=O)(=O)O)cc1Br |
|---|
| InChI Key | SNYSBDSZTAYGCO-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 bromidesbromobenzeneshydrocarbon derivativesorganic oxidesorganobromidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesterstoluenes |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesterbromobenzeneorganohalogen compoundaryl halidearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganobromidesulfate-esterhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid esteraryl bromidetolueneorganooxygen compound |
|---|
