Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:56:00 UTC
Update Date2025-03-24 22:25:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01192766
Frequency1.1
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESOCC12CCC(CO1)O2
InChI KeyAOMSSRSGPPLAEH-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
  • oxanes
  • tetrahydrofurans
  • Substituents
  • alcohol
  • meta-dioxolane
  • tetrahydrofuran
  • aliphatic heteropolycyclic compound
  • oxacycle
  • ketal
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound