Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:10:55 UTC
Update Date2025-03-24 21:31:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01803336
Frequency0.7
Structure
Chemical FormulaC6H7NO3
Molecular Mass141.0426
SMILESO=C(O)CC1NC=CC1=O
InChI KeyRVHXWBAPVUKPLD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carboxylic acids
  • cyclic ketones
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • secondary aliphatic amine
  • carbonyl group
  • carboxylic acid
  • azacycle
  • amino acid or derivatives
  • amino acid
  • cyclic ketone
  • secondary amine
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine