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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:53 UTC
Update Date2025-03-25 01:01:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249106
Frequency0.5
Structure
Chemical FormulaC13H15NO4
Molecular Mass249.1001
SMILESCOc1ccc(CN2C(=O)CCC2=O)cc1OC
InChI KeyOHQCBVYOMVQYCR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass methoxybenzenes
Direct Parent dimethoxybenzenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dicarboximides
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • n-substituted carboxylic acid imides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • pyrrolidine-2-ones
    • Substituents
  • 2-pyrrolidone
  • phenol ether
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • carboxylic acid derivative
  • dimethoxybenzene
  • organic oxide
  • o-dimethoxybenzene
  • organonitrogen compound
  • organopnictogen compound
  • dicarboximide
  • pyrrolidine
  • carboxylic acid imide, n-substituted
  • pyrrolidone
  • organoheterocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • carboxylic acid imide
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound