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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:55 UTC
Update Date2025-03-21 18:37:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00115014
Frequency22.9
Structure
Chemical FormulaC12H17NO2
Molecular Mass207.1259
SMILESCN1CCCC1C(O)c1cccc(O)c1
InChI KeyGHRLDQGXTGVWDW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 1-hydroxy-4-unsubstituted benzenoids
  • aromatic alcohols
  • azacyclic compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • secondary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound