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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:03:39 UTC
Update Date2025-03-24 22:28:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01211703
Frequency1.1
Structure
Chemical FormulaC6H9N
Molecular Mass95.0735
SMILESCC1=CC=NCC1
InChI KeyBMECNBHWMPARQN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazacyclic compounds
Subclass azacyclic compounds
Direct Parent azacyclic compounds
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • imine
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • organic nitrogen compound
  • propargyl-type 1,3-dipolar organic compound