Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:00 UTC
Update Date2025-03-21 18:41:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00134074
Frequency18.8
Structure
Chemical FormulaC19H20O5
Molecular Mass328.1311
SMILESO=C(CCc1cccc(O)c1)CC(=O)CCc1cc(O)cc(O)c1
InChI KeyCEOKCKUCUCIKOB-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
  • resorcinols
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • resorcinol
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • linear 1,7-diphenylheptane skeleton
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound