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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:06:38 UTC
Update Date2025-03-24 21:02:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01649816
Frequency0.8
Structure
Chemical FormulaC9H16O
Molecular Mass140.1201
SMILESCC1CCC2C(O1)C2(C)C
InChI KeyPIMIDHOHKWTNNJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxanes
    • Substituents
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • ether
  • organic oxygen compound
  • hydrocarbon derivative
  • oxane
  • dialkyl ether
  • organooxygen compound