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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:16 UTC
Update Date2025-03-25 00:49:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176848
Frequency0.5
Structure
Chemical FormulaC16H14O7
Molecular Mass318.074
SMILESCOc1cc2c(cc1O)C(C(=O)O)C(c1ccc(O)c(O)c1)O2
InChI KeyNWAHKGGYQMDALG-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • coumarans
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 2-arylbenzofuran flavonoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • coumaran
  • organooxygen compound