Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:11 UTC
Update Date2025-03-25 00:54:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203972
Frequency0.5
Structure
Chemical FormulaC13H14N4O2
Molecular Mass258.1117
SMILESO=c1nc[nH]c2c1NC(C(O)c1ccccc1)CN2
InChI KeyFULMBISSDQDJHW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • secondary alcohols
  • secondary alkylarylamines
  • vinylogous amides
  • Substituents
  • aromatic alcohol
  • alcohol
  • vinylogous amide
  • monocyclic benzene moiety
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound