| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:11 UTC |
|---|
| Update Date | 2025-03-21 18:34:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100941 |
|---|
| Frequency | 27.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO5S |
|---|
| Molecular Mass | 243.0201 |
|---|
| SMILES | O=C1CC(OS(=O)(=O)O)c2ccccc2N1 |
|---|
| InChI Key | XMHWTYHEENMMMP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | quinolines and derivatives |
|---|
| Subclass | quinolones and derivatives |
|---|
| Direct Parent | hydroquinolones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl sulfatesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeshydroquinolineslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoestercarbonyl grouplactamcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundtetrahydroquinolinetetrahydroquinoloneorganic sulfuric acid or derivativesazacyclecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
