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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:42 UTC
Update Date2025-03-25 00:56:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219170
Frequency0.5
Structure
Chemical FormulaC15H19NO4
Molecular Mass277.1314
SMILESCOc1ccc2c3c1OC1C(O)COC1C3N(C)CC2
InChI KeyQMQBJAVOJXBVKZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • alkyl aryl ethers
  • anisoles
  • aralkylamines
  • azacyclic compounds
  • dialkyl ethers
  • hydrocarbon derivatives
  • monosaccharides
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
  • trialkylamines
    • Substituents
  • phenol ether
  • ether
  • 1-benzopyran
  • monosaccharide
  • alkyl aryl ether
  • dialkyl ether
  • aralkylamine
  • saccharide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • chromane
  • tertiary amine
  • alcohol
  • benzopyran
  • azacycle
  • tetrahydrofuran
  • tertiary aliphatic amine
  • oxacycle
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound