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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:49 UTC
Update Date2025-03-25 00:53:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200884
Frequency0.5
Structure
Chemical FormulaC20H22O5
Molecular Mass342.1467
SMILESCOc1ccc2c(c1)OCC(Cc1cccc(O)c1)C2CCC(=O)O
InChI KeyNREDGZWDSIXSRB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classhomoisoflavonoids
Subclass homoisoflavans
Direct Parent homoisoflavans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • homoisoflavan
  • chromane
  • organoheterocyclic compound
  • benzopyran
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound