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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:43 UTC
Update Date2025-03-25 00:58:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02228197
Frequency0.5
Structure
Chemical FormulaC11H12N2O3
Molecular Mass220.0848
SMILESC=CC1=C(C)C(Cc2c[nH]c(=O)[nH]2)OC1=O
InChI KeyBREKMJKGTCHFEK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent butenolides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • dihydrofurans
  • enoate esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • lactones
  • monocarboxylic acids and derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • lactone
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • organic oxide
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • azole
  • enoate ester
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound