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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:39 UTC
Update Date2025-03-25 00:52:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195841
Frequency0.5
Structure
Chemical FormulaC16H16O7
Molecular Mass320.0896
SMILESCC1(O)Oc2cc(O)cc(O)c2C(c2ccc(O)c(O)c2)C1O
InChI KeyINJYXBPLAISVKP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classneoflavonoids
Subclass neoflavans
Direct Parent neoflavans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • neoflavan
  • alcohol
  • monocyclic benzene moiety
  • benzopyran
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • chromane
  • phenol
  • hemiacetal
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound