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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:59:13 UTC
Update Date2025-03-24 14:07:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00768585
Frequency2.0
Structure
Chemical FormulaC5H6N2O2
Molecular Mass126.0429
SMILESCNc1c(N)c(=O)c1=O
InChI KeyOLOCPECNTOMOGD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • vinylogous amides
    • Substituents
  • vinylogous amide
  • cyclic ketone
  • secondary aliphatic/aromatic amine
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organooxygen compound