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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:54:21 UTC
Update Date2025-03-24 22:24:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01188617
Frequency1.1
Structure
Chemical FormulaC10H11N
Molecular Mass145.0891
SMILESC1=NCC(c2ccccc2)C1
InChI KeyRYQGOFOIGADDLZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass phenylpyrrolines
Direct Parent phenylpyrrolines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • imine
  • 3-phenylpyrroline
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound