Hmdb loader

Showing information for DMID01714566

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:33:33 UTC
Update Date2025-03-24 21:14:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01714566
Frequency0.7
Structure
Chemical FormulaC6H7NO
Molecular Mass109.0528
SMILESCC(=O)C1=NCC=C1
InChI KeyNJDGHTPTVAWBAZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass imines
Direct Parent ketimines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • carbonyl group
  • azacycle
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound