| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:01 UTC |
|---|
| Update Date | 2025-03-21 18:35:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00107974 |
|---|
| Frequency | 24.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H4I2O6S |
|---|
| Molecular Mass | 469.7818 |
|---|
| SMILES | O=C(O)c1cc(I)c(OS(=O)(=O)O)c(I)c1 |
|---|
| InChI Key | LQZZFZATKNSQEU-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 | 3-halobenzoic acidsaryl iodidesbenzoic acidsbenzoyl derivativescarboxylic acidshalobenzoic acidshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarboxylic acid3-halobenzoic acid or derivativesbenzoylcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidephenylsulfateorganic oxide3-halobenzoic acidbenzoic acidhalobenzoic acidbenzoic acid or derivativeshalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidaryl iodidehalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
