Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:18 UTC
Update Date2025-03-25 00:51:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186033
Frequency0.5
Structure
Chemical FormulaC7H12F2O7
Molecular Mass246.0551
SMILESO=C(C(O)C(O)C(O)C(O)CO)C(O)(F)F
InChI KeyVKHLRTGGMWXEGX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acyloins
  • alkyl fluorides
  • alpha-haloketones
  • alpha-hydroxy ketones
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • primary alcohols
  • secondary alcohols
  • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • carbonyl group
  • alkyl fluoride
  • organofluoride
  • monosaccharide
  • alpha-hydroxy ketone
  • organohalogen compound
  • ketone
  • organic oxide
  • acyloin
  • secondary alcohol
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • primary alcohol