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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:33 UTC
Update Date2025-03-21 18:03:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00042233
Frequency81.0
Structure
Chemical FormulaC12H17NO2
Molecular Mass207.1259
SMILESCOc1cc(C2CCCN2C)ccc1O
InChI KeyMKNJAVPDWZKCHO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • aralkylamines
  • azacyclic compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • phenoxy compounds
  • pyrroles
  • trialkylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • aralkylamine
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • azacycle
  • n-alkylpyrrolidine
  • 2-phenylpyrrolidine
  • tertiary aliphatic amine
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • pyrrole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound