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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:07:43 UTC
Update Date2025-03-21 20:47:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00361277
Frequency5.2
Structure
Chemical FormulaC5H7NO
Molecular Mass97.0528
SMILESOC1C=CC=NC1
InChI KeyPIACPEYGGNQYBZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound