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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:20 UTC
Update Date2025-03-25 00:49:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02174650
Frequency0.5
Structure
Chemical FormulaC10H13NO3
Molecular Mass195.0895
SMILESCCCCC(O)=NC(=O)c1ccco1
InChI KeyJEJCAAYPRBRMOJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass furoic acid and derivatives
Direct Parent furoic acid and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • furoic acid or derivatives
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound