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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:57 UTC
Update Date2025-03-25 00:46:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153357
Frequency0.5
Structure
Chemical FormulaC12H15NO4
Molecular Mass237.1001
SMILESCOc1ccc(NC(=O)CC(C)=O)c(OC)c1
InChI KeyIQWUCASGTZCNKK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass methoxybenzenes
Direct Parent dimethoxybenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anilides
  • anisoles
  • carboxylic acids and derivatives
  • fatty amides
  • hydrocarbon derivatives
  • ketones
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • phenol ether
  • carbonyl group
  • ether
  • fatty amide
  • n-arylamide
  • alkyl aryl ether
  • carboxylic acid derivative
  • ketone
  • dimethoxybenzene
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • carboxamide group
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • m-dimethoxybenzene
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound