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Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:38:54 UTC
Update Date2025-03-21 17:58:13 UTC
HMDB IDHMDB0133468
Metabolite Identification
DeepMet IDDMID00012938
Name1-(4-hydroxy-3-methoxyphenyl)-7-(3-methoxyphenyl)heptane-3,5-dione
Frequency348.8
Structure
Chemical FormulaC21H24O5
Molecular Mass356.1624
SMILESCOc1cccc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)c1
InChI KeyRBTCKDJYBJUSBR-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
  • 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
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • anisole
  • linear 1,7-diphenylheptane skeleton
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound