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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:46 UTC
Update Date2025-03-25 00:56:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219312
Frequency0.5
Structure
Chemical FormulaC12H10O6
Molecular Mass250.0477
SMILESCOc1cc(CC2=C(O)C(=O)OC2=O)ccc1O
InChI KeyFIVUMDAOJDZYSO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • butenolides
  • carbonyl compounds
  • carboxylic acid anhydrides
  • dicarboxylic acids and derivatives
  • dihydrofurans
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • 2-furanone
  • organic oxide
  • organoheterocyclic compound
  • dihydrofuran
  • methoxybenzene
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • anisole
  • carboxylic acid anhydride
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound