Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 00:17:46 UTC |
---|
Update Date | 2025-03-21 18:35:17 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00104862 |
---|
Frequency | 31.6 |
---|
Structure | |
---|
Chemical Formula | C9H13N3O4S |
---|
Molecular Mass | 259.0627 |
---|
SMILES | CN(C)C(=N)Nc1ccc(OS(=O)(=O)O)cc1 |
---|
InChI Key | ZNVAGWYKOBXSBO-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 homomonocyclic compounds |
---|
Alternative Parents | carboximidamidesguanidineshydrocarbon derivativesiminesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid monoesters |
---|
Substituents | monocyclic benzene moietysulfuric acid monoesterguanidineiminecarboximidamidearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
---|