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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:42 UTC
Update Date2025-03-25 00:48:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168626
Frequency0.5
Structure
Chemical FormulaC14H26O3
Molecular Mass242.1882
SMILESCC(C)C(=O)OC1COC(C(C)C)C(C)C1C
InChI KeyWNSKKSAONQIXSQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • ether
  • carboxylic acid derivative
  • dialkyl ether
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • organooxygen compound