Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:42 UTC
Update Date2025-03-25 00:52:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195938
Frequency0.5
Structure
Chemical FormulaC9H18O6
Molecular Mass222.1103
SMILESCC1(C)OC(C(O)CO)C(C(O)CO)O1
InChI KeyYCOMFYACDCWMMD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • Substituents
  • alcohol
  • meta-dioxolane
  • oxacycle
  • ketal
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organoheterocyclic compound