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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:43 UTC
Update Date2025-03-25 00:45:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150476
Frequency0.5
Structure
Chemical FormulaC12H13FO8
Molecular Mass304.0594
SMILESO=C(O)C1OC(O)C(Oc2cc(F)ccc2O)C(O)C1O
InChI KeyXCFAPXKZYZFIBC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent glucuronic acid derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • aryl fluorides
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • fluorobenzenes
  • halophenols
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organofluorides
  • oxacyclic compounds
  • oxanes
  • p-fluorophenols
  • phenol ethers
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • aryl fluoride
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • glucuronic acid or derivatives
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • organohalogen compound
  • pyran carboxylic acid
  • beta-hydroxy acid
  • fluorobenzene
  • organic oxide
  • 4-halophenol
  • hemiacetal
  • oxane
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • 4-fluorophenol
  • pyran carboxylic acid or derivatives
  • organofluoride
  • hydroxy acid
  • aryl halide
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • phenoxy compound