Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:50:47 UTC
Update Date2025-03-25 00:28:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02040233
Frequency0.6
Structure
Chemical FormulaC9H14O
Molecular Mass138.1045
SMILESCC1(C)C2CC(C2)C2OC21
InChI KeyBOPINKNBBKPBAR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • ether
  • organic oxygen compound
  • oxirane
  • hydrocarbon derivative
  • dialkyl ether
  • organooxygen compound