Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:03:17 UTC
Update Date2025-03-25 01:17:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02346993
Frequency0.5
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESOCC12CC(CO1)CO2
InChI KeyVAPHFRLLWJNTAA-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-dioxanes
  • alcohols and polyols
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • alcohol
  • aliphatic heteropolycyclic compound
  • oxacycle
  • tetrahydrofuran
  • ketal
  • hydrocarbon derivative
  • meta-dioxane
  • organoheterocyclic compound