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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:59 UTC
Update Date2025-03-25 00:46:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153441
Frequency0.5
Structure
Chemical FormulaC11H11NO4
Molecular Mass221.0688
SMILESCOc1ccc2c(c1)C(OC(C)=O)C(=O)N2
InChI KeyZFQABJMBGHYBDL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • indolines
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • lactam
  • indole
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • dihydroindole
  • azacycle
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound