| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:13:47 UTC |
|---|
| Update Date | 2025-03-25 00:58:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02232789 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15NO6S |
|---|
| Molecular Mass | 289.062 |
|---|
| SMILES | CCC(=O)Nc1cc(C)c(OS(=O)(=O)O)cc1OC |
|---|
| InChI Key | DRLIRIDWIBYCMF-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 | alkyl aryl ethersanilidesanisolescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfuric acid monoesterstoluenes |
|---|
| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethern-arylamidealkyl aryl ethercarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundcarboxamide groupmethoxybenzenearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
|---|
