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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:20 UTC
Update Date2025-03-25 00:54:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02206552
Frequency0.5
Structure
Chemical FormulaC13H16O7
Molecular Mass284.0896
SMILESO=C(O)C(C=Cc1ccc(O)c(O)c1)OCC(O)CO
InChI KeyBNPQONOSFVGPPQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • glycerol ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • dialkyl ether
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • glycerolipid
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • glycerol ether
  • organooxygen compound
  • 1,2-diol