Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:40 UTC
Update Date2025-03-25 00:53:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202770
Frequency0.5
Structure
Chemical FormulaC8H8N2O4
Molecular Mass196.0484
SMILESO=C(O)c1[nH]c(=O)[nH]c(=O)c1C1CC1
InChI KeyIYBWLOXQZVQWGR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidinecarboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyrimidones
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • carbonic acid derivative
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrimidine-6-carboxylic acid
  • organooxygen compound