Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:20:14 UTC
Update Date2025-03-24 14:17:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00819163
Frequency1.8
Structure
Chemical FormulaC5H8O3
Molecular Mass116.0473
SMILESOCC12CC(CO1)O2
InChI KeyIEBVHSHREKKDAB-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
  • alcohols and polyols
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxetanes
  • tetrahydrofurans
  • Substituents
  • alcohol
  • meta-dioxolane
  • tetrahydrofuran
  • aliphatic heteropolycyclic compound
  • oxacycle
  • ketal
  • oxetane
  • hydrocarbon derivative
  • organoheterocyclic compound