Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:00:50 UTC
Update Date2025-03-21 18:06:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00064115
Frequency48.0
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCC1(C)OC2COCC2O1
InChI KeyFVMNMGLIBYVLOP-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
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • meta-dioxolane
  • tetrahydrofuran
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • ketal
  • hydrocarbon derivative
  • organoheterocyclic compound