| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:34 UTC |
|---|
| Update Date | 2025-03-21 18:38:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00121308 |
|---|
| Frequency | 21.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14O6S |
|---|
| Molecular Mass | 274.0511 |
|---|
| SMILES | CC(C)COC(=O)c1ccc(OS(=O)(=O)O)cc1 |
|---|
| InChI Key | MXDPWOQXPGEZFF-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 | benzoic acid estersbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesterbenzoylbenzoic acid or derivativesbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundphenylsulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
