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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:20:40 UTC
Update Date2025-03-24 20:42:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01539865
Frequency0.8
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESCC1CCC(CC=O)OC1
InChI KeyULTLGMHIHRCHGQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha-hydrogen aldehydes
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • ether
  • aldehyde
  • dialkyl ether
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • organooxygen compound