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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:37:53 UTC
Update Date2025-03-21 17:57:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00010537
Frequency446.2
Structure
Chemical FormulaC10H12O6
Molecular Mass228.0634
SMILESO=C(O)C(O)C(O)Cc1ccc(O)c(O)c1
InChI KeyVRIYWHWRWOJWOH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alpha hydroxy acids and derivatives
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • 1,2-diol