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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:38 UTC
Update Date2025-03-21 18:35:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104535
Frequency25.9
Structure
Chemical FormulaC15H14O4
Molecular Mass258.0892
SMILESOc1ccc(C2Cc3ccc(O)cc3OC2O)cc1
InChI KeyCVDBKEOTQXCRRX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflavans
Direct Parent isoflavanols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
    • Substituents
  • monocyclic benzene moiety
  • benzopyran
  • 1-benzopyran
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • chromane
  • phenol
  • hemiacetal
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound