Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:58 UTC
Update Date2025-03-25 00:55:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02215100
Frequency0.5
Structure
Chemical FormulaC13H17NO
Molecular Mass203.131
SMILESCC1C2CN(C)C1Cc1cc(O)ccc12
InChI KeyCQFWJJOHNGGAKY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzazepines
Subclass benzazepines
Direct Parent benzazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • azepines
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organooxygen compounds
  • organopnictogen compounds
  • tetralins
  • trialkylamines
  • Substituents
  • tetralin
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxygen compound
  • azepine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • benzazepine
  • pyrrolidine
  • amine
  • tertiary amine
  • organooxygen compound