| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:10 UTC |
|---|
| Update Date | 2025-03-21 18:37:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00115597 |
|---|
| Frequency | 22.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H11IO6S |
|---|
| Molecular Mass | 397.9321 |
|---|
| SMILES | O=C1CCC(Cc2ccc(I)c(OS(=O)(=O)O)c2)O1 |
|---|
| InChI Key | XVPITVYSYMUOPJ-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 heteromonocyclic compounds |
|---|
| Alternative Parents | aryl iodidescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesoxacyclic compoundsphenoxy compoundssulfuric acid monoesterstetrahydrofurans |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compoundcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidelactonephenylsulfateorganic oxideorganoheterocyclic compoundtetrahydrofurangamma butyrolactonearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterhydrocarbon derivativebenzenoidaryl iodidehalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
