Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:39 UTC
Update Date2025-03-21 18:03:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00042496
Frequency80.4
Structure
Chemical FormulaC8H14O5
Molecular Mass190.0841
SMILESCC1(C)OC2C(O)OC(CO)C2O1
InChI KeyOYYTWUSIDMJZCP-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
  • hemiacetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • meta-dioxolane
  • tetrahydrofuran
  • aliphatic heteropolycyclic compound
  • oxacycle
  • ketal
  • hemiacetal
  • hydrocarbon derivative
  • primary alcohol
  • organoheterocyclic compound