| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:29:48 UTC |
|---|
| Update Date | 2025-03-21 18:41:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00133615 |
|---|
| Frequency | 18.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H11NO5S |
|---|
| Molecular Mass | 233.0358 |
|---|
| SMILES | Cc1cnc(COS(=O)(=O)O)c(C)c1O |
|---|
| InChI Key | RJHNRMPCLRAPNJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | halopyridines |
|---|
| Direct Parent | polyhalopyridines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesalkyl sulfatesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridineorganic oxideorganic oxygen compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivative2-halopyridineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
