Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:16 UTC
Update Date2025-03-21 18:37:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00118274
Frequency22.1
Structure
Chemical FormulaC14H20N2O
Molecular Mass232.1576
SMILESCC(C)CC1NC(Cc2ccccc2)N=C1O
InChI KeyYZEMLLVMQVQABI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • cyclic carboximidic acids
  • dialkylamines
  • hydrocarbon derivatives
  • imidazolines
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • Substituents
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • organic 1,3-dipolar compound
  • secondary amine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • imidazoline
  • organonitrogen compound
  • organopnictogen compound
  • 3-imidazoline
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organoheterocyclic compound
  • organooxygen compound
  • amine