Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:26:08 UTC
Update Date2025-03-24 16:50:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00977150
Frequency1.5
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCC1(C)C2OCC(O2)C1O
InChI KeyPKNLQIKCVDOKIM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • acetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • meta-dioxolane
  • tetrahydrofuran
  • monosaccharide
  • aliphatic heteropolycyclic compound
  • oxacycle
  • acetal
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound