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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:42 UTC
Update Date2025-03-25 00:53:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202835
Frequency0.5
Structure
Chemical FormulaC20H22O4
Molecular Mass326.1518
SMILESO=C1CCCC(Cc2cccc(O)c2)C1Cc1ccc(O)c(O)c1
InChI KeyMDDDGMFJJIDAIL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • cyclic ketone
  • 1-hydroxy-4-unsubstituted benzenoid
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound