Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:47 UTC
Update Date2025-03-25 00:58:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02232784
Frequency0.5
Structure
Chemical FormulaC7H9N3O2
Molecular Mass167.0695
SMILESCCC(=O)Nc1nccc(O)n1
InChI KeyIMCGUUSDYMHXMO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-arylamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyrimidines
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • n-arylamide
  • hydroxypyrimidine
  • carboxamide group
  • carboxylic acid derivative
  • pyrimidine
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound