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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:16 UTC
Update Date2025-03-25 00:55:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213567
Frequency0.5
Structure
Chemical FormulaC14H19NO3
Molecular Mass249.1365
SMILESCOC(=O)C1CCN(C)C1c1ccc(OC)cc1
InChI KeyNQKLUXMLBKFZMR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • amino acids and derivatives
  • anisoles
  • aralkylamines
  • azacyclic compounds
  • carbonyl compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • methyl esters
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • pyrroles
  • pyrrolidine carboxylic acids
  • trialkylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • alkyl aryl ether
  • carboxylic acid derivative
  • aralkylamine
  • organic oxide
  • methyl ester
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • azacycle
  • n-alkylpyrrolidine
  • 2-phenylpyrrolidine
  • tertiary aliphatic amine
  • methoxybenzene
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound