| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:43 UTC |
|---|
| Update Date | 2025-03-25 00:46:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02157372 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H13NO5S |
|---|
| Molecular Mass | 271.0514 |
|---|
| SMILES | O=C1NCCC1Cc1ccc(OS(=O)(=O)O)cc1 |
|---|
| InChI Key | XTAJUKDYVHIRSZ-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 compoundspyrrolidine-2-onessecondary carboxylic acid amidessulfuric acid monoesters |
|---|
| Substituents | 2-pyrrolidonemonocyclic benzene moietysulfuric acid monoestercarbonyl grouplactamaromatic heteromonocyclic compoundcarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacyclecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
