Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:57 UTC
Update Date2025-03-25 01:02:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253775
Frequency0.5
Structure
Chemical FormulaC15H18N6O
Molecular Mass298.1542
SMILESNc1ncnc2c1ncn2CC(O)C(N)Cc1ccccc1
InChI KeyQGIOCYCHHHFWMU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amphetamines and derivatives
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • monoalkylamines
  • n-substituted imidazoles
  • organopnictogen compounds
  • purines and purine derivatives
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • Substituents
  • imidazopyrimidine
  • pyrimidine
  • phenylbutylamine
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • amphetamine or derivatives
  • azole
  • n-substituted imidazole
  • alcohol
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • primary amine
  • purine
  • organic nitrogen compound
  • amine
  • organooxygen compound