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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:27 UTC
Update Date2025-03-25 00:56:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218559
Frequency0.5
Structure
Chemical FormulaC12H17NO2
Molecular Mass207.1259
SMILESCNCC1(O)CCC(O)c2ccccc21
InChI KeyBHBAXJDXJTVEBV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • alcohol
  • tetralin
  • secondary aliphatic amine
  • aromatic homopolycyclic compound
  • secondary amine
  • tertiary alcohol
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine