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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:22 UTC
Update Date2025-03-25 00:53:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202100
Frequency0.5
Structure
Chemical FormulaC16H16O3
Molecular Mass256.1099
SMILESCOc1cccc2c1CCC(c1ccc(O)cc1)O2
InChI KeyBUHUIJITNDBLSO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass o-methylated flavonoids
Direct Parent 5-o-methylated flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 4'-hydroxyflavonoids
  • alkyl aryl ethers
  • anisoles
  • benzene and substituted derivatives
  • flavans
  • hydrocarbon derivatives
  • oxacyclic compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • benzopyran
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 5-methoxyflavonoid-skeleton
  • anisole
  • chromane
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound