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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:33 UTC
Update Date2025-03-25 00:49:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177518
Frequency0.5
Structure
Chemical FormulaC18H28NO9P
Molecular Mass433.1502
SMILESCc1cc2cc(C)c(C)n(CC(O)C(O)C(O)C(O)C(O)COP(=O)(O)O)c-2c1
InChI KeyOHOYKNCIBPXGPM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • monoalkyl phosphates
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • polyhalopyridine
  • monosaccharide
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • alcohol
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound