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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:07:16 UTC
Update Date2025-03-21 18:29:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00079654
Frequency36.6
Structure
Chemical FormulaC16H22O9
Molecular Mass358.1264
SMILESO=C(CCC(O)Cc1cc(O)cc(O)c1)OC1OC(CO)C(O)C1O
InChI KeyVKYRLXNRDZEHFO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • resorcinol
  • saccharide
  • organic oxide
  • acetal
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound