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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:32 UTC
Update Date2025-03-21 18:41:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00133045
Frequency19.0
Structure
Chemical FormulaC10H13N2O8P
Molecular Mass320.041
SMILESO=c1ccn(C2CC3OP(=O)(O)OC3C(CO)O2)c(=O)[nH]1
InChI KeyJEDHSMRAZRWWRW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dioxaphospholanes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organic phosphoric acids and derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • vinylogous amides
  • Substituents
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • lactam
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • 1,3_dioxaphospholane
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • oxane
  • primary alcohol
  • organic phosphoric acid derivative
  • organooxygen compound