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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:50:39 UTC
Update Date2025-03-21 18:02:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00040075
Frequency86.4
Structure
Chemical FormulaC10H13NO
Molecular Mass163.0997
SMILESOc1cccc(C2CCCN2)c1
InChI KeyDSELUURJNITILG-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • 2-phenylpyrrolidine
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • secondary amine
  • organic oxygen compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine