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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:03 UTC
Update Date2025-03-25 00:57:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224564
Frequency0.5
Structure
Chemical FormulaC21H30O14
Molecular Mass506.1636
SMILESO=C(O)C(Cc1ccc(O)cc1)OC1C(O)C(CO)OC(OC2OC(CO)C(O)C(O)C2O)C1O
InChI KeyMZAGSABLGHFXFK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound