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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:32:21 UTC
Update Date2025-03-24 21:40:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01854264
Frequency0.7
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESOCC(O)C12CCC(C1)O2
InChI KeyJBXRYOVOWFIULB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydrofurans
Subclass tetrahydrofurans
Direct Parent tetrahydrofurans
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxetanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • oxetane
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound
  • 1,2-diol