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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:34 UTC
Update Date2025-03-21 18:34:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00099418
Frequency27.6
Structure
Chemical FormulaC20H22O6
Molecular Mass358.1416
SMILESCOc1cc(CCC(=O)CC(=O)CCc2cc(O)ccc2O)ccc1O
InChI KeyPVNSSXFXSZEXIT-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
  • alkyl aryl ethers
  • anisoles
  • gingerdiones
  • hydrocarbon derivatives
  • hydroquinones
  • ketones
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • gingerdione
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • methoxybenzene
  • ketone
  • hydroquinone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • anisole
  • linear 1,7-diphenylheptane skeleton
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound