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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:10 UTC
Update Date2025-03-25 00:49:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171969
Frequency0.5
Structure
Chemical FormulaC11H13N
Molecular Mass159.1048
SMILESCN=CC(C)=Cc1ccccc1
InChI KeySSJVWQIUFYUUIR-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
  • aldimines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aromatic homomonocyclic compound
  • aldimine
  • monocyclic benzene moiety
  • imine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • organic nitrogen compound
  • propargyl-type 1,3-dipolar organic compound