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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:48:47 UTC
Update Date2025-03-24 17:58:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01031284
Frequency1.4
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESC=CC1CC(O)C(O)CO1
InChI KeyPGMGNRHUFYELEI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • ether
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organooxygen compound
  • 1,2-diol