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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:36:40 UTC
Update Date2025-03-21 17:57:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00007699
Frequency649.2
Structure
Chemical FormulaC16H12O4
Molecular Mass268.0736
SMILESCOc1ccc(-c2coc3cccc(O)c3c2=O)cc1
InChI KeyYCUNGEJJOMKCGZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflav-2-enes
Direct Parent isoflavones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • chromones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isoflavonoids
  • methoxybenzenes
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • pyranones and derivatives
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • isoflavone
  • benzopyran
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • pyran
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound