| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:48:32 UTC |
|---|
| Update Date | 2025-03-21 18:01:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00035002 |
|---|
| Frequency | 102.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H7NO4S |
|---|
| Molecular Mass | 225.0096 |
|---|
| SMILES | O=S(=O)(O)Oc1cccc2cnccc12 |
|---|
| InChI Key | DXSWJOQCMDRCOZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isoquinolines and derivatives |
|---|
| Subclass | isoquinolines and derivatives |
|---|
| Direct Parent | isoquinolines and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | arylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridineorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundisoquinolineorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
