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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:21 UTC
Update Date2025-03-25 00:46:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156602
Frequency0.5
Structure
Chemical FormulaC11H11NO3
Molecular Mass205.0739
SMILESC=CC(=O)CC(=O)c1c(N)cccc1O
InChI KeyGIOFHZVQRKIVMN-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
  • acryloyl compounds
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • enones
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • vinylogous acids
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • alpha,beta-unsaturated ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • enone
  • vinylogous amide
  • 1-hydroxy-4-unsubstituted benzenoid
  • butyrophenone
  • aromatic homomonocyclic compound
  • vinylogous acid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • acryloyl-group
  • primary amine
  • organic nitrogen compound
  • amine
  • alkyl-phenylketone