Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:13 UTC
Update Date2025-03-21 18:38:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00120475
Frequency36.4
Structure
Chemical FormulaC6H7N3O4
Molecular Mass185.0437
SMILESCC(=O)Nc1c(O)[nH]c(=O)[nH]c1=O
InChI KeyLEQAPQOADPEHKU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-acetylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyrimidines
  • lactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • pyrimidones
  • secondary carboxylic acid amides
  • vinylogous acids
  • vinylogous amides
  • Substituents
  • carbonyl group
  • lactam
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • pyrimidone
  • hydroxypyrimidine
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • organopnictogen compound
  • organoheterocyclic compound
  • acetamide
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • vinylogous acid
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound