Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:27:29 UTC
Update Date2025-03-24 20:19:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01412989
Frequency0.9
Structure
Chemical FormulaC7H12N2
Molecular Mass124.1
SMILESCc1cccn1CCN
InChI KeyANGBOGQCHZMPSA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass substituted pyrroles
Direct Parent substituted pyrroles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • substituted pyrrole
  • primary aliphatic amine
  • organic nitrogen compound