Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:46 UTC
Update Date2025-03-21 18:35:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104862
Frequency31.6
Structure
Chemical FormulaC9H13N3O4S
Molecular Mass259.0627
SMILESCN(C)C(=N)Nc1ccc(OS(=O)(=O)O)cc1
InChI KeyZNVAGWYKOBXSBO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfuric acids and derivatives
Subclass arylsulfates
Direct Parent phenylsulfates
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carboximidamides
  • guanidines
  • hydrocarbon derivatives
  • imines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • sulfuric acid monoesters
  • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • guanidine
  • imine
  • carboximidamide
  • aromatic homomonocyclic compound
  • phenylsulfate
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound