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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:02 UTC
Update Date2025-03-25 00:46:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153559
Frequency0.5
Structure
Chemical FormulaC17H18O5
Molecular Mass302.1154
SMILESCOc1ccc(C2c3ccc(O)cc3OC(CO)C2O)cc1
InChI KeyWVYWPVXKOQMOFJ-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
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • oxacyclic compounds
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • neoflavan
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • benzopyran
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • secondary alcohol
  • chromane
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound