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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:45 UTC
Update Date2025-03-25 00:48:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166499
Frequency0.5
Structure
Chemical FormulaC11H13NO2
Molecular Mass191.0946
SMILESCC(=O)Nc1cccc2c1OCC2C
InChI KeyONXGNRWKDSTPTO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classcoumarans
Subclass coumarans
Direct Parent coumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • alkyl aryl ethers
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • ether
  • n-acetylarylamine
  • n-arylamide
  • alkyl aryl ether
  • carboxamide group
  • carboxylic acid derivative
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • coumaran
  • acetamide
  • organooxygen compound