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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:15 UTC
Update Date2025-03-25 00:58:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231585
Frequency0.5
Structure
Chemical FormulaC11H15NO
Molecular Mass177.1154
SMILESCC1c2ccc(O)c(c2)CCN1C
InChI KeyRCQNJGRPCWNERX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aralkylamines
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • azacycle
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • aralkylamine
  • organic oxygen compound
  • azepine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound