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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:28:37 UTC
Update Date2025-03-25 01:26:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02405380
Frequency0.5
Structure
Chemical FormulaC7H13NO2
Molecular Mass143.0946
SMILESCC1(C=O)CCC(CN)O1
InChI KeyXQKOCBCNRRYFOM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydrofurans
Subclass tetrahydrofurans
Direct Parent tetrahydrofurans
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • aldehydes
  • dialkyl ethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • ether
  • tetrahydrofuran
  • aldehyde
  • dialkyl ether
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound