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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:48 UTC
Update Date2025-03-25 01:01:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248933
Frequency0.5
Structure
Chemical FormulaC17H16O5
Molecular Mass300.0998
SMILESCOc1ccc(C(C)C(=O)c2cc3c(cc2O)OCO3)cc1
InChI KeyPWYIFOSHZJBDGZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classalpha-methyldeoxybenzoin flavonoids
Subclass alpha-methyldeoxybenzoin flavonoids
Direct Parent alpha-methyldeoxybenzoin flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • anisoles
  • aryl alkyl ketones
  • benzodioxoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • stilbenes
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • ketone
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organoheterocyclic compound
  • benzodioxole
  • methoxybenzene
  • alpha-methyldeoxybenzoin flavonoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • aryl ketone
  • stilbene