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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:04 UTC
Update Date2025-03-25 00:50:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178670
Frequency0.5
Structure
Chemical FormulaC9H12N2O2
Molecular Mass180.0899
SMILESCn1ccc(C2CC(O)C(=O)N2)c1
InChI KeyARCPWNCGKJTXJX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass substituted pyrroles
Direct Parent substituted pyrroles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • n-methylpyrroles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • n-methylpyrrole
  • lactam
  • aromatic heteromonocyclic compound
  • substituted pyrrole
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • alcohol
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound