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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:35:40 UTC
Update Date2025-03-21 17:57:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00005373
Frequency999.0
Structure
Chemical FormulaC21H20O6
Molecular Mass368.126
SMILESCOc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)cc1O
InChI KeyJPUDEIBVUZNDCK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classdiarylheptanoids
Subclass linear diarylheptanoids
Direct Parent linear diarylheptanoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acryloyl compounds
  • alkyl aryl ethers
  • anisoles
  • enones
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • ketones
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • alpha,beta-unsaturated ketone
  • hydroxycinnamic acid or derivatives
  • ketone
  • cinnamic acid or derivatives
  • organic oxide
  • enone
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • hydroxycinnamic acid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • linear 1,7-diphenylheptane skeleton
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • acryloyl-group
  • phenoxy compound
  • organooxygen compound