Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:02 UTC
Update Date2025-03-21 18:40:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00131895
Frequency19.2
Structure
Chemical FormulaC10H14N2O
Molecular Mass178.1106
SMILESCC(N=C(O)CN)c1ccccc1
InChI KeyISKASNLUPTVDNL-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 homomonocyclic compounds
Alternative Parents
  • carboximidic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • Substituents
  • carboximidic acid
  • monocyclic benzene moiety
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound