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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:29 UTC
Update Date2025-03-25 00:56:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220986
Frequency0.5
Structure
Chemical FormulaC16H14O3
Molecular Mass254.0943
SMILESO=C(O)c1cccc2c1OCC(c1ccccc1)C2
InChI KeyUPJJGVSKTZLZAO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflavans
Direct Parent isoflavans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-carboxy-2-haloaromatic compounds
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • isoflavan
  • monocyclic benzene moiety
  • ether
  • benzopyran
  • carboxylic acid
  • 1-benzopyran
  • alkyl aryl ether
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • chromane
  • hydrocarbon derivative
  • benzenoid
  • 1-carboxy-2-haloaromatic compound
  • organoheterocyclic compound
  • organooxygen compound