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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:13 UTC
Update Date2025-03-25 00:49:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172084
Frequency0.5
Structure
Chemical FormulaC13H16N2O2
Molecular Mass232.1212
SMILESCN1CCC1C(O)c1c[nH]c2ccc(O)cc12
InChI KeyAQDOQECQWXQNPT-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-aminoalcohols
  • 1-hydroxy-2-unsubstituted benzenoids
  • aromatic alcohols
  • azacyclic compounds
  • azetidines
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyrroles
  • secondary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • alcohol
  • azacycle
  • 1,2-aminoalcohol
  • indole
  • heteroaromatic compound
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • azetidine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound