Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:42:48 UTC
Update Date2025-03-21 20:01:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00302902
Frequency6.5
Structure
Chemical FormulaC6H10O2
Molecular Mass114.0681
SMILESCC1(C)OC2CC2O1
InChI KeyIEGYBQPNWFUBLW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • 1,3-dioxolanes
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • aliphatic heteropolycyclic compound
  • oxacycle
  • meta-dioxolane
  • ketal
  • hydrocarbon derivative
  • meta-dioxane
  • organoheterocyclic compound