Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:43:15 UTC
Update Date2025-03-24 20:52:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01593781
Frequency0.8
Structure
Chemical FormulaC6H8N2O2
Molecular Mass140.0586
SMILESNC(=O)C1=CN(O)C=CC1
InChI KeyGJFMQSSMWHUPKW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent n-substituted nicotinamides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dihydropyridines
  • hydrocarbon derivatives
  • n-organohydroxylamines
  • organic oxides
  • organopnictogen compounds
  • primary carboxylic acid amides
  • vinylogous amides
  • Substituents
  • primary carboxylic acid amide
  • vinylogous amide
  • carbonyl group
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • n-organohydroxylamine
  • n-substituted nicotinamide
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • dihydropyridine
  • organooxygen compound