Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:07:28 UTC
Update Date2025-03-21 18:29:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00080121
Frequency36.3
Structure
Chemical FormulaC8H14N2O
Molecular Mass154.1106
SMILESCN(C)Cc1ccc(CN)o1
InChI KeyGCKKYPRRZHWOET-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent aralkylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • trialkylamines
  • Substituents
  • furan
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • tertiary aliphatic amine
  • aralkylamine
  • oxacycle
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound