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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:40:00 UTC
Update Date2025-03-24 21:43:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01872280
Frequency0.6
Structure
Chemical FormulaC6H12O3
Molecular Mass132.0786
SMILESCC1(C(O)CO)CCO1
InChI KeyINBBWXDVODLUAS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxetanes
Subclass oxetanes
Direct Parent oxetanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • ether
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • oxetane
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound
  • 1,2-diol