| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:27:23 UTC |
|---|
| Update Date | 2025-03-21 18:39:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00127980 |
|---|
| Frequency | 19.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H17NO5S |
|---|
| Molecular Mass | 311.0827 |
|---|
| SMILES | CCC1=C(C)C(=O)NC1Cc1cccc(OS(=O)(=O)O)c1 |
|---|
| InChI Key | XGARLZLZTKBVIF-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 | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrrolinessecondary carboxylic acid amidessulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouplactamaromatic heteromonocyclic compoundcarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacyclecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
