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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:58 UTC
Update Date2025-03-21 18:33:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00095527
Frequency29.0
Structure
Chemical FormulaC14H20N2O3
Molecular Mass264.1474
SMILESCC(=O)NCCCN1CCc2cc(O)c(O)cc2C1
InChI KeyKCCGMZWWOQCPLW-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
  • acetamides
  • amino acids and derivatives
  • aralkylamines
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • trialkylamines
    • Substituents
  • carbonyl group
  • azacycle
  • amino acid or derivatives
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxamide group
  • carboxylic acid derivative
  • aralkylamine
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • tertiary amine
  • acetamide
  • organooxygen compound