| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:09:07 UTC |
|---|
| Update Date | 2025-03-21 18:31:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00084058 |
|---|
| Frequency | 57.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H7NO6S |
|---|
| Molecular Mass | 256.9994 |
|---|
| SMILES | O=S(=O)(O)Oc1ccc2nc(O)cc(O)c2c1 |
|---|
| InChI Key | CIUICKCQDXHYQK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | quinolines and derivatives |
|---|
| Subclass | hydroxyquinolines |
|---|
| Direct Parent | hydroxyquinolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesarylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesquinolones and derivativessulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoesterpolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridinequinoloneorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinedihydroxyquinolinehydroxyquinolinepyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
