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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:54 UTC
Update Date2025-03-25 00:58:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230756
Frequency0.5
Structure
Chemical FormulaC13H17NO2
Molecular Mass219.1259
SMILESCN1CC2Cc3cc(O)c(O)cc3CC2C1
InChI KeySIWMTFYVGQSZFP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • hydrocarbon derivatives
  • isoindoles
  • isoindolines
  • n-alkylpyrrolidines
  • organooxygen compounds
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • tetralin
  • azacycle
  • n-alkylpyrrolidine
  • isoindole
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxygen compound
  • isoindoline
  • aromatic heteropolycyclic compound
  • isoindole or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound