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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:39 UTC
Update Date2025-03-25 00:48:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170764
Frequency0.5
Structure
Chemical FormulaC8H13NO4
Molecular Mass187.0845
SMILESCOC1=C(O)C(=O)OC1CN(C)C
InChI KeyZKMHGHGSNMJPTN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent butenolides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • carbonyl compounds
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • trialkylamines
  • vinylogous esters
    • Substituents
  • carbonyl group
  • amino acid or derivatives
  • monosaccharide
  • carboxylic acid derivative
  • lactone
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • saccharide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • enoate ester
  • vinylogous ester
  • tertiary aliphatic amine
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound