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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:44 UTC
Update Date2025-03-21 18:39:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124020
Frequency20.8
Structure
Chemical FormulaC14H17NO2
Molecular Mass231.1259
SMILESCOc1ccc2c3c1OC3C1CCN(C)C1C2
InChI KeyRSGOEJJCZAPAMM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • hydrocarbon derivatives
  • indoles
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • oxacyclic compounds
  • trialkylamines
    • Substituents
  • tetralin
  • phenol ether
  • ether
  • azacycle
  • n-alkylpyrrolidine
  • indole
  • tertiary aliphatic amine
  • indole or derivatives
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound