Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:09 UTC
Update Date2025-03-21 18:40:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00129806
Frequency19.6
Structure
Chemical FormulaC9H12N2O4
Molecular Mass212.0797
SMILESCc1cn(C2CC(CO)O2)c(=O)[nH]c1=O
InChI KeyKGNHTLZABHOTPI-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
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxetanes
  • primary alcohols
  • vinylogous amides
  • Substituents
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • oxetane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol
  • organooxygen compound