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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:42 UTC
Update Date2025-03-25 00:49:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177873
Frequency0.5
Structure
Chemical FormulaC15H22N2O10P2
Molecular Mass452.075
SMILESCc1cc2ncn(C3C(O)C(O)C(COP(=O)(O)OP(=O)(O)O)C3O)c2cc1C
InChI KeySNWUXTJTOIZTCR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoanionic compounds
Subclass organic pyrophosphates
Direct Parent organic pyrophosphates
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • benzimidazoles
  • cyclitols and derivatives
  • cyclopentanols
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monoalkyl phosphates
  • n-substituted imidazoles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • organic oxide
  • aromatic heteropolycyclic compound
  • benzimidazole
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • azacycle
  • heteroaromatic compound
  • cyclitol or derivatives
  • cyclic alcohol
  • organic pyrophosphate
  • cyclopentanol
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound