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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:35 UTC
Update Date2025-03-25 01:01:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248436
Frequency0.5
Structure
Chemical FormulaC12H22O3
Molecular Mass214.1569
SMILESC=CC1(C)CCC(C)C(C(O)C(C)O)O1
InChI KeyNTEDXGMWSNILKG-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