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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:28 UTC
Update Date2025-03-21 18:37:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00116303
Frequency22.6
Structure
Chemical FormulaC13H17NO2
Molecular Mass219.1259
SMILESCOc1ccc(C2CCCN2C(C)=O)cc1
InChI KeyZFYAMIVRZMXOKQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • n-acylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • pyrroles
  • tertiary carboxylic acid amides
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • n-acylpyrrolidine
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • azacycle
  • 2-phenylpyrrolidine
  • carboxamide group
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound