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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:11 UTC
Update Date2025-03-25 01:00:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245222
Frequency0.5
Structure
Chemical FormulaC12H14N2O2
Molecular Mass218.1055
SMILESCN1CC(C)(c2ccccc2)N=C(O)C1=O
InChI KeyYPDZEKUCCHRLJC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • tertiary carboxylic acid amides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • organic 1,3-dipolar compound
  • carboxamide group
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organoheterocyclic compound
  • organooxygen compound