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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:59 UTC
Update Date2025-03-21 18:37:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00115165
Frequency22.9
Structure
Chemical FormulaC6H9FO8
Molecular Mass228.0281
SMILESO=C(O)C(O)C(O)C(O)C(O)(F)C(=O)O
InChI KeyGKHZIYFTJTZMEJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent glucuronic acid derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha hydroxy acids and derivatives
  • alpha-halocarboxylic acids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fluorohydrins
  • halogenated fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monosaccharides
  • organic oxides
  • organofluorides
  • secondary alcohols
  • Substituents
  • alpha-halocarboxylic acid or derivatives
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • alpha-hydroxy acid
  • monosaccharide
  • fatty acid
  • alpha-halocarboxylic acid
  • fluorohydrin
  • carboxylic acid derivative
  • organohalogen compound
  • medium-chain hydroxy acid
  • beta-hydroxy acid
  • organic oxide
  • alkyl halide
  • medium-chain fatty acid
  • hydroxy fatty acid
  • halogenated fatty acid
  • alcohol
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • hydroxy acid
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative