Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:35 UTC
Update Date2025-03-25 00:48:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166113
Frequency0.5
Structure
Chemical FormulaC10H18O3
Molecular Mass186.1256
SMILESCC1CCCC2CC(O)C2(CO)O1
InChI KeyDPXGFCDVNQJMKO-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
  • secondary alcohols
  • Substituents
  • alcohol
  • ether
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxygen compound
  • cyclobutanol
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound