Hmdb loader

Showing information for DMID02158907

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:25 UTC
Update Date2025-03-25 00:47:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158907
Frequency0.5
Structure
Chemical FormulaC13H16N2
Molecular Mass200.1313
SMILESc1ccc2c(c1)CCN=C2C1CCCN1
InChI KeyYPPBVXMQBQGAMJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydroisoquinolines
Subclass dihydroisoquinolines
Direct Parent dihydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • dialkylamines
  • hydrocarbon derivatives
  • ketimines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolidines
    • Substituents
  • secondary aliphatic amine
  • ketimine
  • dihydroisoquinoline
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • secondary amine
  • propargyl-type 1,3-dipolar organic compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • pyrrolidine
  • amine