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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:48:00 UTC
Update Date2025-03-21 18:01:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00033744
Frequency107.3
Structure
Chemical FormulaC12H17NO10P+
Molecular Mass366.0585
SMILESO=C(O)c1ccc[n+](C2OC(COP(=O)(O)O)C(O)C(O)C2O)c1
InChI KeySNQWAKZOTIMEHI-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent hexose phosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyridine-3-carboxylic acids
  • secondary alcohols
  • vinylogous amides
    • Substituents
  • pyridine carboxylic acid or derivatives
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • pyridine-3-carboxylic acid
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • oxane
  • organoheterocyclic compound
  • alcohol
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyridine
  • phosphoric acid ester
  • monoalkyl phosphate
  • pyridine carboxylic acid
  • secondary alcohol
  • hexose phosphate
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate