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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:42 UTC
Update Date2025-03-25 01:01:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251000
Frequency0.5
Structure
Chemical FormulaC10H12N2O3
Molecular Mass208.0848
SMILESO=C(O)CCCC(=O)C=Cc1c[nH]cn1
InChI KeyWCFPTSWEQLQLRW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent medium-chain fatty acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acryloyl compounds
  • amino fatty acids
  • azacyclic compounds
  • carboxylic acids
  • enones
  • fatty acyls
  • heteroaromatic compounds
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • imidazoles
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • heterocyclic fatty acid
  • alpha,beta-unsaturated ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • organoheterocyclic compound
  • azole
  • enone
  • azacycle
  • heteroaromatic compound
  • amino fatty acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • acryloyl-group
  • organic nitrogen compound
  • organooxygen compound