Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:43:17 UTC
Update Date2025-03-24 21:45:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01880019
Frequency0.6
Structure
Chemical FormulaC6H8N2O2
Molecular Mass140.0586
SMILESNc1[nH]cc(CO)c1C=O
InChI KeyFHHPSTRBXZLJRP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent aryl-aldehydes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • pyrroles
  • vinylogous amides
  • Substituents
  • aromatic alcohol
  • alcohol
  • vinylogous amide
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic oxide
  • aryl-aldehyde
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organoheterocyclic compound