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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:41 UTC
Update Date2025-03-25 00:48:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170845
Frequency0.5
Structure
Chemical FormulaC21H28O12
Molecular Mass472.1581
SMILESCOC(C(O)C(O)C=O)C1OC(Oc2cc(CC3CCC(=O)O3)ccc2O)C(O)C(O)C1O
InChI KeyUNUDISXWKZSLJH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • carboxylic acid esters
  • dialkyl ethers
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • beta-hydroxy aldehyde
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • lactone
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • tetrahydrofuran
  • aldehyde
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound