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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:40 UTC
Update Date2025-03-25 00:52:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193594
Frequency0.5
Structure
Chemical FormulaC16H17NO2
Molecular Mass255.1259
SMILESCN(C)C1Cc2cc(O)ccc2-c2ccc(O)cc21
InChI KeyQGRJAKSLLFHPAB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenanthrenes and derivatives
Subclass phenanthrenes and derivatives
Direct Parent phenanthrenes and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aralkylamines
  • hydrocarbon derivatives
  • naphthalenes
  • organooxygen compounds
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • phenanthrene
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • aralkylamine
  • naphthalene
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound