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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:46 UTC
Update Date2025-03-25 00:56:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02216968
Frequency0.5
Structure
Chemical FormulaC13H19NO2
Molecular Mass221.1416
SMILESCc1cc2c(cc1C)C(C(O)C(C)O)CN2
InChI KeyQVLYUACAVFZURY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • indolines
  • organopnictogen compounds
  • secondary alcohols
  • secondary alkylarylamines
  • Substituents
  • alcohol
  • azacycle
  • indole
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • dihydroindole
  • amine
  • organooxygen compound
  • 1,2-diol