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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:28 UTC
Update Date2025-03-21 18:32:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00091911
Frequency30.5
Structure
Chemical FormulaC16H12O6
Molecular Mass300.0634
SMILESCOc1ccc(-c2c(O)c3c(O)cc(O)cc3oc2=O)cc1
InChI KeyCIPQVCVRQQYHLE-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
  • 7-hydroxycoumarins
  • alkyl aryl ethers
  • anisoles
  • coumarins and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isoflavonoids
  • lactones
  • 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
  • isoflav-3-enone skeleton
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • 4-hydroxycoumarin
  • benzopyran
  • 7-hydroxycoumarin
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • coumarin
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • pyran
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound