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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:37 UTC
Update Date2025-03-25 01:01:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253052
Frequency0.5
Structure
Chemical FormulaC13H16O9
Molecular Mass316.0794
SMILESO=C(Cc1ccc(O)c(O)c1)OC1C(O)OC(O)C(O)C1O
InChI KeyBMRQJBNMGMEERX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • oxacycle
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound
  • organooxygen compound
  • 1,2-diol