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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:41:43 UTC
Update Date2025-03-24 17:55:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01014546
Frequency1.4
Structure
Chemical FormulaC6H9NO2
Molecular Mass127.0633
SMILESCC1=NCC(C)C(=O)O1
InChI KeyRPAMURLGVCHXKW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazacyclic compounds
Subclass azacyclic compounds
Direct Parent azacyclic compounds
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • azacycle
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound