Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:32 UTC
Update Date2025-03-25 00:48:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168239
Frequency0.5
Structure
Chemical FormulaC16H18N2O
Molecular Mass254.1419
SMILESCC(C)c1ccccc1C(N)=Nc1ccccc1O
InChI KeyMJLVVLUKWKNIKS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass cumenes
Direct Parent cumenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • amidines
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • phenylpropanes
  • propargyl-type 1,3-dipolar organic compounds
  • Substituents
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic 1,3-dipolar compound
  • amidine
  • 1-hydroxy-4-unsubstituted benzenoid
  • propargyl-type 1,3-dipolar organic compound
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • cumene
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound