| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:12 UTC |
|---|
| Update Date | 2025-03-21 18:38:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00120445 |
|---|
| Frequency | 21.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H5IO5S |
|---|
| Molecular Mass | 315.8902 |
|---|
| SMILES | O=S(=O)(O)Oc1ccc(I)cc1O |
|---|
| InChI Key | ANRJRJMRAVHDIA-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl iodideshalophenolshydrocarbon derivativesiodobenzenesm-iodophenolsorganic oxidesorganoiodidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodidephenylsulfateorganic oxide3-halophenol1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidaryl iodidehalobenzenephenoxy compoundsulfuric acid ester3-iodophenolorganooxygen compound |
|---|
