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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:50 UTC
Update Date2025-03-21 18:40:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00129046
Frequency19.7
Structure
Chemical FormulaC10H15N2O8P
Molecular Mass322.0566
SMILESCP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O
InChI KeyYOJBFUODNDCGJH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organophosphorus compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • phosphonic acid esters
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous amides
  • Substituents
  • lactam
  • aromatic heteromonocyclic compound
  • monosaccharide
  • pyrimidone
  • phosphonic acid ester
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organophosphorus compound
  • organophosphonic acid derivative
  • 1,2-diol
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound