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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:48:32 UTC
Update Date2025-03-21 18:01:50 UTC
HMDB IDHMDB0041507
Metabolite Identification
DeepMet IDDMID00034988
Name3'-O-Methylcatechin
Frequency102.3
Structure
Chemical FormulaC16H16O6
Molecular Mass304.0947
SMILESCOC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1
InChI KeyPDHSAQOQVUXZGQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavans
Direct Parent catechins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 3-o-methylated flavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • 3-methoxyflavonoid-skeleton
  • alkyl aryl ether
  • dialkyl ether
  • aromatic heteropolycyclic compound
  • chromane
  • catechin
  • organoheterocyclic compound
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound