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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:34 UTC
Update Date2025-03-25 00:47:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163736
Frequency0.5
Structure
Chemical FormulaC20H16O5
Molecular Mass336.0998
SMILESCC1(C)C=Cc2c(c(O)cc3occ(-c4ccc(O)cc4)c(=O)c23)O1
InChI KeyIMZQGRZPLBAEAU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass pyranoisoflavonoids
Direct Parent pyranoisoflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2,2-dimethyl-1-benzopyrans
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • chromones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isoflavones
  • organic oxides
  • oxacyclic compounds
  • pyranones and derivatives
  • Substituents
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • 2,2-dimethyl-1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • isoflavone
  • benzopyran
  • heteroaromatic compound
  • pyranoisoflavonoid
  • oxacycle
  • organic oxygen compound
  • pyran
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound