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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:45 UTC
Update Date2025-03-25 01:01:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248812
Frequency0.5
Structure
Chemical FormulaC11H13NO2
Molecular Mass191.0946
SMILESCOc1ccc(C2NCCC2=O)cc1
InChI KeyNMHPVIOOMATLOQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • cyclic ketones
  • dialkylamines
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • pyrroles
  • pyrrolidine-3-ones
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • 3-pyrrolidone
  • cyclic ketone
  • alkyl aryl ether
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidone
  • secondary aliphatic amine
  • azacycle
  • 2-phenylpyrrolidine
  • secondary amine
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine