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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:01:59 UTC
Update Date2025-03-21 18:07:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00066871
Frequency45.6
Structure
Chemical FormulaC11H17NO3
Molecular Mass211.1208
SMILESCN(C)CC(O)C(O)c1ccc(O)cc1
InChI KeyVWQZKLAPBOMQAO-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
  • 1,2-diols
  • 1,3-aminoalcohols
  • aromatic alcohols
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • 1,3-aminoalcohol
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound
  • 1,2-diol