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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:57:20 UTC
Update Date2025-03-21 18:05:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00055828
Frequency57.2
Structure
Chemical FormulaC14H16O9
Molecular Mass328.0794
SMILESO=C(O)c1ccccc1C(=O)OCC1OC(O)C(O)C(O)C1O
InChI KeyTXZSUUPEIZWNOL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent benzoic acid esters
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • benzoic acids
  • benzoyl derivatives
  • carboxylic acid esters
  • dicarboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • benzoyl
  • monosaccharide
  • benzoate ester
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • hemiacetal
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • oxane
  • organoheterocyclic compound
  • alcohol
  • oxacycle
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound