| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:08:56 UTC |
|---|
| Update Date | 2025-03-21 18:30:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00083622 |
|---|
| Frequency | 34.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H6N2O5S |
|---|
| Molecular Mass | 229.9997 |
|---|
| SMILES | O=c1[nH][nH]c2c(OS(=O)(=O)O)cccc12 |
|---|
| InChI Key | LCLUEOYUAKWXBP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | arylsulfates |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindazoleslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrazolespyrazolonessulfuric acid monoestersvinylogous amides |
|---|
| Substituents | sulfuric acid monoesterlactampyrazoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateorganoheterocyclic compoundazolevinylogous amideazacycleindazoleheteroaromatic compoundorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundbenzopyrazolesulfuric acid esterorganooxygen compoundpyrazolinone |
|---|
