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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:12:38 UTC
Update Date2025-03-24 20:13:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01377670
Frequency0.9
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESOCC1C(O)CC2CC1O2
InChI KeyIFJWVOKPFAINTJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxetanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • ether
  • cyclic alcohol
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • oxetane
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organooxygen compound