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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:28 UTC
Update Date2025-03-25 00:45:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149889
Frequency0.5
Structure
Chemical FormulaC10H5NO3
Molecular Mass187.0269
SMILESN#Cc1ccc2occ(C(=O)O)c2c1
InChI KeyJBGDALDDRYKZEJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzofurans
Subclass benzofurans
Direct Parent benzofurans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • benzenoids
  • furan-3-carboxylic acids
  • furoic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • nitriles
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • furan
  • nitrile
  • carboxylic acid
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • carbonitrile
  • furoic acid or derivatives
  • furan-3-carboxylic acid
  • benzofuran
  • heteroaromatic compound
  • furoic acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • furan-3-carboxylic acid or derivatives
  • organooxygen compound