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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:04 UTC
Update Date2025-03-25 00:59:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237991
Frequency0.5
Structure
Chemical FormulaC14H14N2O4
Molecular Mass274.0954
SMILESO=C(O)CC1OC(Cc2c[nH]c3ccccc23)N=C1O
InChI KeySPZHDSCYHFATOU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • cyclic carboximidic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxazolines
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • carbonyl group
  • carboxylic acid
  • indole
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • oxacycle
  • oxazoline
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound