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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:57 UTC
Update Date2025-03-25 00:46:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155721
Frequency0.5
Structure
Chemical FormulaC8H13NO4P+
Molecular Mass218.0577
SMILESCc1ccc[n+](CCOP(=O)(O)O)c1
InChI KeyCRUMZKCPPSFPQH-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydroxypyridines
Direct Parent hydroxypyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • organic oxide
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound