Hmdb loader

Showing information for DMID01157491

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:41:26 UTC
Update Date2025-03-24 22:19:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01157491
Frequency1.2
Structure
Chemical FormulaC6H7NO3
Molecular Mass141.0426
SMILESCOC(=O)C1=NC(=O)CC1
InChI KeyQZZKKIOOHZRSKL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • n-acylimines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • n-acylimine
  • carbonyl group
  • azacycle
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • pyrroline
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound