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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:44:51 UTC
Update Date2025-03-21 18:00:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00026311
Frequency145.7
Structure
Chemical FormulaC11H15NO2
Molecular Mass193.1103
SMILESCN1CCCC1c1ccc(O)c(O)c1
InChI KeyCVCDKFFKIPAKSL-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
  • aralkylamines
  • azacyclic compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organooxygen compounds
  • organopnictogen compounds
  • pyrroles
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • 2-phenylpyrrolidine
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aralkylamine
  • organic oxygen compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound