Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:48:38 UTC
Update Date2025-03-24 22:22:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01174959
Frequency1.2
Structure
Chemical FormulaC6H7NO3
Molecular Mass141.0426
SMILESNC1=C(C(=O)O)C(=O)CC1
InChI KeyTXKZMQBHMQUBMZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous amides
Subclass vinylogous amides
Direct Parent vinylogous amides
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carboxylic acids
  • cyclic ketones
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • vinylogous amide
  • carbonyl group
  • carboxylic acid
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound