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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:40:55 UTC
Update Date2025-03-25 00:22:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01301744
Frequency1.0
Structure
Chemical FormulaC4H7NO3
Molecular Mass117.0426
SMILESO=[N+]([O-])C1CCOC1
InChI KeyPVFMRQLZRAMTQL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydrofurans
Subclass tetrahydrofurans
Direct Parent tetrahydrofurans
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • c-nitro compounds
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ether
  • tetrahydrofuran
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • dialkyl ether
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organooxygen compound
  • organic hyponitrite