| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:02 UTC |
|---|
| Update Date | 2025-03-25 00:50:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02183132 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H10N2O4S |
|---|
| Molecular Mass | 290.0361 |
|---|
| SMILES | O=S(=O)(Oc1ccc2nc[nH]c2c1)c1ccc(O)cc1 |
|---|
| InChI Key | QZISBHNTTKBQLI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonic acids and derivatives |
|---|
| Direct Parent | benzenesulfonate esters |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsarylsulfonic acids and derivativesazacyclic compoundsbenzenesulfonyl compoundsbenzimidazolesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acid esterssulfonyls |
|---|
| Substituents | organosulfonic acid or derivativesbenzenesulfonate ester1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolebenzenesulfonyl groupazacycleheteroaromatic compoundorganosulfonic acid estersulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
