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Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:35:24 UTC
Update Date2025-03-21 17:56:58 UTC
HMDB IDHMDB0133452
Metabolite Identification
DeepMet IDDMID00004808
Name1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione
Frequency1148.7
Structure
Chemical FormulaC20H22O6
Molecular Mass358.1416
SMILESCOc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(O)c2)ccc1O
InChI KeyABDNUFVBMDRYEX-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
  • alkyl aryl ethers
  • anisoles
  • gingerdiones
  • hydrocarbon derivatives
  • ketones
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • gingerdione
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • methoxybenzene
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • anisole
  • linear 1,7-diphenylheptane skeleton
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound