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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:55 UTC
Update Date2025-03-25 00:47:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162233
Frequency0.5
Structure
Chemical FormulaC12H22O2
Molecular Mass198.162
SMILESC=CC1(C)CCCC(C(O)C(C)C)O1
InChI KeySJKDHRYRZVUVGS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • oxacycle
  • ether
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • dialkyl ether
  • organooxygen compound