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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:24 UTC
Update Date2025-03-25 00:52:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195238
Frequency0.5
Structure
Chemical FormulaC9H16O2
Molecular Mass156.115
SMILESCC1CCCC(C)(CC=O)O1
InChI KeyKELQZVKSEOTYHV-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