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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:19 UTC
Update Date2025-03-25 00:59:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236310
Frequency0.5
Structure
Chemical FormulaC17H17NO3
Molecular Mass283.1208
SMILESOc1ccc(C2CNC3c4ccc(O)cc4OCC23)cc1
InChI KeyHWMJHYUIDAISBN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • azacyclic compounds
  • benzene and substituted derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrroles
    • Substituents
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • chromane
  • secondary aliphatic amine
  • benzopyran
  • azacycle
  • secondary amine
  • oxacycle
  • 3-phenylpyrrolidine
  • organic oxygen compound
  • pyrrole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine