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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:40 UTC
Update Date2025-03-21 18:32:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00092389
Frequency30.3
Structure
Chemical FormulaC11H13NO2
Molecular Mass191.0946
SMILESO=C(c1ccc(O)cc1)C1CCCN1
InChI KeyKTXAIQQSZAWCJP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl alkyl ketones
  • azacyclic compounds
  • benzoyl derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • pyrrolidines
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • organoheterocyclic compound
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • alkyl-phenylketone
  • amine