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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:56 UTC
Update Date2025-03-21 18:38:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00119851
Frequency21.7
Structure
Chemical FormulaC9H13N2O9P
Molecular Mass324.0359
SMILESO=c1ccn(C2OC(CO)C(COP(=O)(O)O)O2)c(=O)[nH]1
InChI KeyZOSUPBJQJGBMON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monoalkyl phosphates
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • vinylogous amides
  • Substituents
  • meta-dioxolane
  • lactam
  • aromatic heteromonocyclic compound
  • pyrimidone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound