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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:47 UTC
Update Date2025-03-21 18:39:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124139
Frequency20.7
Structure
Chemical FormulaC9H11NO3
Molecular Mass181.0739
SMILESNc1c(O)cccc1C(=O)CCO
InChI KeyFGZCIMDVEKBYIP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alcohols and polyols
  • aryl alkyl ketones
  • benzoyl derivatives
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • vinylogous amides
    • Substituents
  • beta-hydroxy ketone
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • vinylogous amide
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • alkyl-phenylketone