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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:44:19 UTC
Update Date2025-03-21 18:49:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00167738
Frequency14.0
Structure
Chemical FormulaC8H12O2
Molecular Mass140.0837
SMILESC=CC1(C)CCC(=O)CO1
InChI KeyHZQAXJOVERYZRT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclic ketones
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • ether
  • cyclic ketone
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • organooxygen compound