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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:23 UTC
Update Date2025-03-25 00:50:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179393
Frequency0.5
Structure
Chemical FormulaC16H12O6
Molecular Mass300.0634
SMILESCOc1ccc2oc(=O)c(-c3ccc(O)c(O)c3)c(O)c2c1
InChI KeyIAKVZBXHBIERCE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflav-3-enes
Direct Parent isoflav-3-enones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 4-hydroxycoumarins
  • alkyl aryl ethers
  • anisoles
  • benzene and substituted derivatives
  • coumarins and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isoflavonoids
  • lactones
  • organic oxides
  • oxacyclic compounds
  • pyranones and derivatives
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • isoflav-3-enone skeleton
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • 4-hydroxycoumarin
  • benzopyran
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • coumarin
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • pyran
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound