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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:25 UTC
Update Date2025-03-25 00:49:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177182
Frequency0.5
Structure
Chemical FormulaC11H13NO2
Molecular Mass191.0946
SMILESCNC(=C=O)CCc1ccc(O)cc1
InChI KeyPMGPXGORTBRYRV-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
  • benzene and substituted derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • ynolates
    • Substituents
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • secondary amine
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • ynolate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine