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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:13 UTC
Update Date2025-03-25 00:47:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162950
Frequency0.5
Structure
Chemical FormulaC12H19NO2
Molecular Mass209.1416
SMILESO=C(C1CCCC1)N1CC2COCC2C1
InChI KeyBVLHGZVQIDKNDL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-acylpyrrolidines
Direct Parent n-acylpyrrolidines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • tertiary carboxylic acid amides
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • ether
  • azacycle
  • tetrahydrofuran
  • n-acylpyrrolidine
  • carboxamide group
  • carboxylic acid derivative
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound