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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:28 UTC
Update Date2025-03-25 00:46:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156863
Frequency0.5
Structure
Chemical FormulaC13H15NO7
Molecular Mass297.0849
SMILESO=C(O)c1ccccc(=O)c1NC1OC(CO)C(O)C1O
InChI KeyRYEUYQMVJXGRBX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasshydrocarbon derivatives
Classtropones
Subclass tropones
Direct Parent tropones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • amino acids
  • cyclic ketones
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • secondary alkylarylamines
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • monosaccharide
  • cyclic ketone
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • vinylogous amide
  • tropone
  • tetrahydrofuran
  • secondary amine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • organic nitrogen compound
  • organooxygen compound
  • amine