Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:10 UTC
Update Date2025-03-25 00:51:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188027
Frequency0.5
Structure
Chemical FormulaC9H12N4O2
Molecular Mass208.096
SMILESCC(=O)Nc1cc(NC(=N)N)ccc1O
InChI KeyPWWANAWGZRCPAO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent acetanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetamides
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • guanidines
  • hydrocarbon derivatives
  • imines
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • n-acetylarylamine
  • guanidine
  • imine
  • 1-hydroxy-2-unsubstituted benzenoid
  • n-arylamide
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • acetanilide
  • carboximidamide
  • carboxamide group
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound