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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:52 UTC
Update Date2025-03-25 01:01:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249098
Frequency0.5
Structure
Chemical FormulaC14H14O6
Molecular Mass278.079
SMILESCOc1ccc(CC2OC(=O)C3CC(=O)OC23)cc1O
InChI KeyTXIFCZWEWIMEOK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acid esters
  • dicarboxylic acids and derivatives
  • furofurans
  • gamma butyrolactones
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • furofuran
  • organoheterocyclic compound
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • gamma butyrolactone
  • oxacycle
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound