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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:21 UTC
Update Date2025-03-25 00:50:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183831
Frequency0.5
Structure
Chemical FormulaC20H15O5+
Molecular Mass335.0914
SMILESO=C1CC(c2ccc(O)cc2)Oc2[o+]c(-c3ccc(O)cc3)ccc21
InChI KeyDRSQLYAQWQTNSE-UHFFFAOYSA-O
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
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • phenol
  • linear 1,7-diphenylheptane skeleton
  • hydrocarbon derivative
  • benzenoid
  • organic cation
  • organoheterocyclic compound
  • organooxygen compound
  • aryl ketone