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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:26 UTC
Update Date2025-03-25 00:48:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170291
Frequency0.5
Structure
Chemical FormulaC22H42O4
Molecular Mass370.3083
SMILESCCCCCCCCCCCCCCCCOC1CCC(=O)C(CO)O1
InChI KeyYOKNEDFHHPLVGB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • cyclic ketone
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • acetal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organooxygen compound