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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:57 UTC
Update Date2025-03-25 00:55:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02215096
Frequency0.5
Structure
Chemical FormulaC24H28O6
Molecular Mass412.1886
SMILESCC1C(Oc2ccc(C(=O)CCc3cccc(O)c3)cc2)OC(C(=O)O)C(C)C1C
InChI KeyNUEQRJXBVMPUSU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classlinear 1,3-diarylpropanoids
Subclass chalcones and dihydrochalcones
Direct Parent retro-dihydrochalcones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl-phenylketones
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • carboxylic acids
  • cinnamylphenols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • pyran carboxylic acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • cinnamylphenol
  • retro-dihydrochalcone
  • carboxylic acid derivative
  • pyran carboxylic acid
  • ketone
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • pyran carboxylic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • phenylketone
  • butyrophenone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone