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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:35 UTC
Update Date2025-03-21 18:35:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106899
Frequency25.2
Structure
Chemical FormulaC10H14N2
Molecular Mass162.1157
SMILESCCCN=C(N)c1ccccc1
InChI KeyYYPCTPUYQVEKGN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • amidines
  • carboximidamides
  • hydrocarbon derivatives
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • organic nitrogen compound
  • propargyl-type 1,3-dipolar organic compound