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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:15 UTC
Update Date2025-03-21 18:32:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00091377
Frequency30.7
Structure
Chemical FormulaC12H13NO3
Molecular Mass219.0895
SMILESCC(=O)NCCc1coc2ccc(O)cc12
InChI KeyNDDMXCWNHGZTGP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzofurans
Subclass benzofurans
Direct Parent benzofurans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetamides
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
    • Substituents
  • furan
  • carbonyl group
  • benzofuran
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • 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
  • acetamide
  • organooxygen compound