Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:10:04 UTC
Update Date2025-03-21 18:31:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00086260
Frequency75.1
Structure
Chemical FormulaC13H14N2O5
Molecular Mass278.0903
SMILESO=C(O)CC1N=C(O)C(Cc2ccc(O)cc2)N=C1O
InChI KeyYRPLZXYMHRIZFA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classpeptidomimetics
Subclass peptidomimetics
Direct Parent peptidomimetics
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • cyclic non-alpha peptide
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organoheterocyclic compound
  • organooxygen compound