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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:32 UTC
Update Date2025-03-25 00:54:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209407
Frequency0.5
Structure
Chemical FormulaC12H11N
Molecular Mass169.0891
SMILESCC1=CC2=NCCc3cccc1c32
InChI KeyDKYSLNXVQFKCHP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydroisoquinolines
Subclass dihydroisoquinolines
Direct Parent dihydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • indenes and isoindenes
  • ketimines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • dihydroisoquinoline
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • indene
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound