Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:59:26 UTC
Update Date2025-03-21 18:06:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00060844
Frequency51.4
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESCC12CCC(O1)C(C)(C)O2
InChI KeyFZROIABWHZJKHT-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-dioxolanes
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • oxanes
  • tetrahydrofurans
  • Substituents
  • aliphatic heteropolycyclic compound
  • oxacycle
  • meta-dioxolane
  • tetrahydrofuran
  • ketal
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound