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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:20 UTC
Update Date2025-03-25 00:46:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156569
Frequency0.5
Structure
Chemical FormulaC20H14O9
Molecular Mass398.0638
SMILESO=C1CC(c2ccc(O)c(O)c2)Oc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c21
InChI KeyRNKBYQSZJMKDRD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classdiarylheptanoids
Subclass linear diarylheptanoids
Direct Parent linear diarylheptanoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • pyranones and derivatives
  • vinylogous esters
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • vinylogous ester
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • pyranone
  • phenol
  • linear 1,7-diphenylheptane skeleton
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound
  • aryl ketone