| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:41:54 UTC |
|---|
| Update Date | 2025-03-25 00:47:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02159978 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H9N3O4S |
|---|
| Molecular Mass | 267.0314 |
|---|
| SMILES | O=S(=O)(O)Oc1ccccc1Nc1ccncn1 |
|---|
| InChI Key | XXDKOMLWZVRQIA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | phenylsulfates |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundspyrimidines and pyrimidine derivativessecondary aminessulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compoundpyrimidinephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundsecondary amineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
|---|
