Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:51:14 UTC
Update Date2025-03-24 20:55:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01612281
Frequency0.8
Structure
Chemical FormulaC9H14O
Molecular Mass138.1045
SMILESCC12CCC(C1)C1OC1C2
InChI KeyHZKOIPRKWNSZEI-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