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Record Information
HMDB Statusdetected
Creation Date2024-02-20 23:40:08 UTC
Update Date2025-03-21 17:58:38 UTC
HMDB IDHMDB0251279
Metabolite Identification
DeepMet IDDMID00015704
NameD-Digitoxose
Frequency275.4
Structure
Chemical FormulaC6H12O4
Molecular Mass148.0736
SMILESCC1OC(O)CC(O)C1O
InChI KeyFDWRIIDFYSUTDP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • hemiacetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • alcohol
  • monosaccharide
  • oxacycle
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound
  • 1,2-diol