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Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:49:17 UTC
Update Date2025-03-21 18:02:11 UTC
HMDB IDHMDB0141131
Metabolite Identification
DeepMet IDDMID00036866
Name1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane-3,5-dione
Frequency95.7
Structure
Chemical FormulaC19H20O5
Molecular Mass328.1311
SMILESO=C(CCc1ccc(O)cc1)CC(=O)CCc1ccc(O)c(O)c1
InChI KeyKFMWLWRTYFPFTP-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
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • ketones
  • organic oxides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • linear 1,7-diphenylheptane skeleton
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound