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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:39 UTC
Update Date2025-03-21 18:41:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00133284
Frequency18.9
Structure
Chemical FormulaC14H20N2O2
Molecular Mass248.1525
SMILESCOc1ccc2[nH]cc(CC(O)CN(C)C)c2c1
InChI KeyKHEQYFMXOHVAQW-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
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyrroles
  • secondary alcohols
  • trialkylamines
  • Substituents
  • phenol ether
  • ether
  • indole
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • alcohol
  • azacycle
  • 1,2-aminoalcohol
  • heteroaromatic compound
  • tertiary aliphatic amine
  • organic oxygen compound
  • anisole
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound