Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:31:11 UTC
Update Date2025-03-21 22:20:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00559186
Frequency3.0
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESCC12CCC(C)(OC1)O2
InChI KeyKMBAYLKLLGEZGE-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