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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:26 UTC
Update Date2025-03-21 18:40:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130479
Frequency19.4
Structure
Chemical FormulaC10H14N2O2
Molecular Mass194.1055
SMILESNCC1Cc2cc(O)c(O)cc2CN1
InChI KeyBPFQKQWBHXVCGS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • dialkylamines
  • hydrocarbon derivatives
  • monoalkylamines
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • secondary aliphatic amine
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • secondary amine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • amine