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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:54 UTC
Update Date2025-03-25 00:46:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155604
Frequency0.5
Structure
Chemical FormulaC12H13NO3
Molecular Mass219.0895
SMILESCc1ccc(OC2CCC(=O)NC2=O)cc1
InChI KeyIZPFCILIRIFABA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass piperidinones
Direct Parent piperidinediones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • delta lactams
  • dicarboximides
  • hydrocarbon derivatives
  • n-unsubstituted carboxylic acid imides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • toluenes
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • carboxylic acid derivative
  • carboxylic acid imide, n-unsubstituted
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • piperidinedione
  • dicarboximide
  • azacycle
  • carboxylic acid imide
  • delta-lactam
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • toluene
  • organooxygen compound