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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:36 UTC
Update Date2025-03-21 18:36:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111803
Frequency23.8
Structure
Chemical FormulaC12H17N2O7P
Molecular Mass332.0773
SMILESO=P(O)(O)OCC(O)C(O)C(O)Cn1cnc2ccccc21
InChI KeyBLPMBQHKIDVXDE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzimidazoles
Subclass benzimidazoles
Direct Parent benzimidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monoalkyl phosphates
  • n-substituted imidazoles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • azacycle
  • heteroaromatic compound
  • organic oxide
  • organic oxygen compound
  • phosphoric acid ester
  • aromatic heteropolycyclic compound
  • benzimidazole
  • imidazole
  • monoalkyl phosphate
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound
  • azole
  • n-substituted imidazole