Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:25:20 UTC
Update Date2025-03-21 23:16:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00687224
Frequency2.3
Structure
Chemical FormulaC9H12O
Molecular Mass136.0888
SMILESCC1=CC2CCC1C1OC21
InChI KeyYHMFDXTWDMZROK-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