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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:16 UTC
Update Date2025-03-25 00:57:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227190
Frequency0.5
Structure
Chemical FormulaC13H21NO2
Molecular Mass223.1572
SMILESCC(C)CN(C)CC(O)c1cccc(O)c1
InChI KeyBXWXTADZOWGPBO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 1-hydroxy-4-unsubstituted benzenoids
  • aromatic alcohols
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound