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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:54 UTC
Update Date2025-03-25 00:58:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230761
Frequency0.5
Structure
Chemical FormulaC9H14N4O5
Molecular Mass258.0964
SMILESCN1CC(CO)OC(n2c(=O)[nH]c(=O)[nH]c2=O)C1
InChI KeyOZKRRRTZWLRJDJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtriazines
Subclass triazinones
Direct Parent triazinones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3,5-triazines
  • 1,3-aminoalcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • morpholines
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • trialkylamines
    • Substituents
  • aromatic heteromonocyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • tertiary amine
  • alcohol
  • carbonic acid derivative
  • 1,3-aminoalcohol
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • oxazinane
  • oxacycle
  • morpholine
  • organic oxygen compound
  • hydrocarbon derivative
  • 1,3,5-triazine
  • organic nitrogen compound
  • amine
  • triazinone
  • organooxygen compound