| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:38:55 UTC |
|---|
| Update Date | 2025-03-21 17:58:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00012973 |
|---|
| Frequency | 347.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H11NO5S |
|---|
| Molecular Mass | 245.0358 |
|---|
| SMILES | NC(=O)CCc1ccc(OS(=O)(=O)O)cc1 |
|---|
| InChI Key | LXBDKJFAQIOGEV-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 | carbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsprimary carboxylic acid amidessulfuric acid monoesters |
|---|
| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl groupfatty amidecarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
