| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:48 UTC |
|---|
| Update Date | 2025-03-25 00:50:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02178104 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8N2O5S |
|---|
| Molecular Mass | 256.0154 |
|---|
| SMILES | Cc1nc2ccc(OS(=O)(=O)O)cc2[nH]c1=O |
|---|
| InChI Key | JDJMWXHULSVVIO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazanaphthalenes |
|---|
| Subclass | benzodiazines |
|---|
| Direct Parent | quinoxalines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | arylsulfatesazacyclic compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrazinessulfuric acid monoesters |
|---|
| Substituents | quinoxalinesulfuric acid monoesterlactamorganic sulfuric acid or derivativesazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrazineorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
