Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:49:58 UTC
Update Date2025-03-24 20:29:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01465524
Frequency0.9
Structure
Chemical FormulaC8H12O
Molecular Mass124.0888
SMILESC1CC2CC1CC1OC21
InChI KeyMXOPGCPICHNYJK-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