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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:23:08 UTC
Update Date2025-03-25 00:40:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02116784
Frequency0.6
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCC1CCC2(COO2)CO1
InChI KeyXGKCADBTNLLBCI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • dialkyl peroxides
  • dioxetanes
  • hydrocarbon derivatives
  • oxacyclic compounds
    • Substituents
  • 1,2-dioxetane
  • oxacycle
  • ether
  • organic oxygen compound
  • dialkyl peroxide
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • dialkyl ether
  • organooxygen compound