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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:06 UTC
Update Date2025-03-25 00:47:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160409
Frequency0.5
Structure
Chemical FormulaC14H11NO3
Molecular Mass241.0739
SMILESNc1ccc(C2Oc3cc(O)ccc3C2=O)cc1
InChI KeyMPLCRVQXUFXHGQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Class2-arylbenzofuran flavonoids
Subclass 2-arylbenzofuran flavonoids
Direct Parent 2-arylbenzofuran flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • benzofuranones
  • coumarans
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • benzofuranone
  • 2-arylbenzofuran flavonoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • coumaran
  • benzofuran
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound
  • aryl ketone