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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:48 UTC
Update Date2025-03-25 00:59:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237395
Frequency0.5
Structure
Chemical FormulaC11H9NO3
Molecular Mass203.0582
SMILESO=C1CC2(Cc3ccccc3O2)C(=O)N1
InChI KeyJQKMPDZHWSDRPG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classcoumarans
Subclass coumarans
Direct Parent coumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dicarboximides
  • hydrocarbon derivatives
  • n-unsubstituted carboxylic acid imides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrrolidine-2-ones
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • ether
  • azacycle
  • alkyl aryl ether
  • carboxylic acid derivative
  • carboxylic acid imide
  • oxacycle
  • carboxylic acid imide, n-unsubstituted
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • dicarboximide
  • organic nitrogen compound
  • pyrrolidine
  • pyrrolidone
  • coumaran
  • organooxygen compound