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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:02 UTC
Update Date2025-03-25 00:57:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222264
Frequency0.5
Structure
Chemical FormulaC11H17NO4
Molecular Mass227.1158
SMILESOCCN(CCO)Cc1cc(O)ccc1O
InChI KeyLAFHFFKSMXCOOU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent hydroquinones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 1-hydroxy-2-unsubstituted benzenoids
  • alcohols and polyols
  • aralkylamines
  • benzylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenylmethylamines
  • trialkylamines
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • aralkylamine
  • hydroquinone
  • aromatic homomonocyclic compound
  • phenylmethylamine
  • organic oxygen compound
  • benzylamine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound
  • alkanolamine