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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:05 UTC
Update Date2025-03-21 18:36:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112950
Frequency23.5
Structure
Chemical FormulaC9H11NO
Molecular Mass149.0841
SMILESC=CCNc1ccc(O)cc1
InChI KeyJOXAVXHHSXOWJP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent phenylalkylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • secondary alkylarylamines
    • Substituents
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organopnictogen compound
  • phenylalkylamine
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound