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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:45:23 UTC
Update Date2025-03-21 18:00:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00027577
Frequency137.4
Structure
Chemical FormulaC12H17NO2
Molecular Mass207.1259
SMILESCC1c2cc(O)c(O)cc2CCCN1C
InChI KeyKBCYLROIXNYPIH-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
  • aralkylamines
  • azacyclic compounds
  • azepines
  • 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
  • benzazepine
  • amine
  • tertiary amine
  • organooxygen compound