Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:23:15 UTC
Update Date2025-03-24 22:02:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01974427
Frequency0.6
Structure
Chemical FormulaC6H6N2O2+
Molecular Mass138.0424
SMILESNC1=[N+]C=CC=C1C(=O)O
InChI KeyFIZWCHQJTHWBEB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classimidolactams
Subclass imidolactams
Direct Parent imidolactams
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • amidine
  • carboximidamide
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • imidolactam
  • organooxygen compound