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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:03:31 UTC
Update Date2025-03-21 18:28:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00070591
Frequency42.6
Structure
Chemical FormulaC7H11NO2
Molecular Mass141.079
SMILESCC(O)C(=O)C1=NCCC1
InChI KeyDUJZKLVLKWSKHA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent acyloins
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • ketimines
  • ketones
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
  • secondary alcohols
    • Substituents
  • alcohol
  • ketimine
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • pyrroline
  • acyloin
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound