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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:49:49 UTC
Update Date2025-03-24 14:36:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00890031
Frequency1.6
Structure
Chemical FormulaC7H11NO2
Molecular Mass141.079
SMILESCN1CC2COC(=O)C2C1
InChI KeyDWDFSEKWSIROSM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass gamma butyrolactones
Direct Parent gamma butyrolactones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • tetrahydrofurans
  • trialkylamines
    • Substituents
  • carbonyl group
  • amino acid or derivatives
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • tertiary amine
  • azacycle
  • n-alkylpyrrolidine
  • tetrahydrofuran
  • tertiary aliphatic amine
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound