Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:43:40 UTC
Update Date2025-03-25 00:23:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01308053
Frequency1.0
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESCC12CCC(O)CC(C1)O2
InChI KeyDHPTXSOJGMYCSJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxetanes
  • secondary alcohols
  • Substituents
  • alcohol
  • ether
  • cyclic alcohol
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxygen compound
  • oxetane
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound