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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:50 UTC
Update Date2025-03-25 00:48:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166677
Frequency0.5
Structure
Chemical FormulaC19H21NO7
Molecular Mass375.1318
SMILESCC(=O)NCCC1(O)Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1
InChI KeyYCVRRUIWSFWTKG-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-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • acetamides
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • flavans
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
  • tertiary alcohols
    • Substituents
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • carbonyl group
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • chromane
  • catechin
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • 3'-hydroxyflavonoid
  • oxacycle
  • secondary carboxylic acid amide
  • tertiary alcohol
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound