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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:52 UTC
Update Date2025-03-25 01:02:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253605
Frequency0.5
Structure
Chemical FormulaC17H22O13
Molecular Mass434.106
SMILESO=C(CCC(O)Cc1cc(O)c(O)c(O)c1)OC1OC(C(=O)O)OC(O)C(O)C1O
InChI KeyPGWCZIYLEDYNBV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenetriols and derivatives
Direct Parent pyrogallols and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxepanes
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hemiacetals
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • fatty acyl
  • 1,3-dioxepane
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • acetal
  • hemiacetal
  • organoheterocyclic compound
  • alcohol
  • pyrogallol derivative
  • 1-hydroxy-4-unsubstituted benzenoid
  • dioxepane
  • oxacycle
  • fatty acid ester
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound