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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:47 UTC
Update Date2025-03-21 18:35:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104934
Frequency25.8
Structure
Chemical FormulaC16H21N4O9P
Molecular Mass444.1046
SMILESCc1cc2c(cc1C)n1c(=O)[nH]c(=O)nc1n2CC(O)C(O)C(O)COP(=O)(O)O
InChI KeyGUBXRRQCXHWINS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzimidazoles
Subclass benzimidazoles
Direct Parent benzimidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • halo-s-triazines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monoalkyl phosphates
  • n-substituted imidazoles
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • triazinones
    • Substituents
  • organic oxide
  • aromatic heteropolycyclic compound
  • benzimidazole
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • azole
  • n-substituted imidazole
  • alcohol
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • phosphoric acid ester
  • halo-s-triazine
  • monoalkyl phosphate
  • secondary alcohol
  • triazine
  • hydrocarbon derivative
  • 1,3,5-triazine
  • benzenoid
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • triazinone
  • alkyl phosphate
  • organooxygen compound