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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:59 UTC
Update Date2025-03-25 00:46:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153463
Frequency0.5
Structure
Chemical FormulaC16H16O2
Molecular Mass240.115
SMILESCOc1ccc2c(c1)CCC(c1ccccc1)O2
InChI KeyKTNVJVMGXMJRCR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass o-methylated flavonoids
Direct Parent 6-o-methylated flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • alkyl aryl ethers
  • anisoles
  • benzene and substituted derivatives
  • flavans
  • hydrocarbon derivatives
  • oxacyclic compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • benzopyran
  • 1-benzopyran
  • 6-methoxyflavonoid-skeleton
  • flavan
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • chromane
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound