Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:42 UTC
Update Date2025-03-21 18:35:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104719
Frequency25.9
Structure
Chemical FormulaC11H11N3O2
Molecular Mass217.0851
SMILESCn1c(N)c(-c2ccccc2)c(=O)[nH]c1=O
InChI KeyRKROPFDVJCOGST-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • monocyclic benzene moiety
  • carbonic acid derivative
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound