| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:27 UTC |
|---|
| Update Date | 2025-03-21 18:03:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00041987 |
|---|
| Frequency | 81.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H7NO5S |
|---|
| Molecular Mass | 205.0045 |
|---|
| SMILES | COc1cccnc1OS(=O)(=O)O |
|---|
| InChI Key | ZHWFHUJDCRTWOB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | arylsulfates |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesalkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoesteretheraromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridinealkyl aryl etherorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfate2-halopyridineorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
|---|
