Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:38:32 UTC
Update Date2025-03-24 22:09:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02011114
Frequency0.6
Structure
Chemical FormulaC6H10O2
Molecular Mass114.0681
SMILESCC12CC(O)CC1O2
InChI KeyQGRDPTGSYJMMIE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • ether
  • oxirane
  • cyclic alcohol
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organooxygen compound