| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:12 UTC |
|---|
| Update Date | 2025-03-21 18:38:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00120464 |
|---|
| Frequency | 21.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H5NO6S |
|---|
| Molecular Mass | 218.9838 |
|---|
| SMILES | O=C(OS(=O)(=O)O)c1ncccc1O |
|---|
| InChI Key | QACWJISWVUDVGE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridinecarboxylic acids and derivatives |
|---|
| Direct Parent | pyridine-2-carboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoestersvinylogous acids |
|---|
| Substituents | sulfuric acid monoesteraromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundorganopnictogen compound2-halopyridineorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
