Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:23:27 UTC
Update Date2025-03-24 14:18:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00827135
Frequency1.8
Structure
Chemical FormulaC7H11NO2
Molecular Mass141.079
SMILESCN1C2CCC1OC(=O)C2
InChI KeyWLIRMCCOBSLDKY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass lactones
Direct Parent lactones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-oxazinanes
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxepanes
  • Substituents
  • caprolactone
  • carbonyl group
  • azacycle
  • n-alkylpyrrolidine
  • 1,3-oxazinane
  • carboxylic acid derivative
  • oxazinane
  • lactone
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organooxygen compound