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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:36 UTC
Update Date2025-03-25 00:53:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202604
Frequency0.5
Structure
Chemical FormulaC13H16O9
Molecular Mass316.0794
SMILESO=C(OC1OC(O)(CO)C(O)C(O)C1O)c1ccc(O)cc1
InChI KeyFVMFPPBGBLBPNT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent p-hydroxybenzoic acid alkyl esters
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • benzoyl derivatives
  • carboxylic acid esters
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • aromatic heteromonocyclic compound
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • hemiacetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • p-hydroxybenzoic acid alkyl ester
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • organooxygen compound