Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:45 UTC
Update Date2025-03-21 18:02:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00037975
Frequency92.4
Structure
Chemical FormulaC8H7NO5
Molecular Mass197.0324
SMILESNC(Cc1cc(=O)c(=O)c1=O)C(=O)O
InChI KeyICLVWCHXJNTGQG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • cyclic ketones
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • carbonyl group
  • carboxylic acid
  • cyclic ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound