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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:56 UTC
Update Date2025-03-25 00:54:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205674
Frequency0.5
Structure
Chemical FormulaC17H19NO3
Molecular Mass285.1365
SMILESNCCCC1(c2ccc(O)cc2)Oc2ccccc2C1O
InChI KeyBHJFQEDMUNQRNR-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
  • coumarans
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • phenylbutylamines
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • ether
  • 2-arylbenzofuran flavonoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • phenylbutylamine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound
  • coumaran
  • organooxygen compound