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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:46 UTC
Update Date2025-03-25 00:51:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184773
Frequency0.5
Structure
Chemical FormulaC11H14ClNO5
Molecular Mass275.0561
SMILESOCC1OC(Oc2ccccn2)C(O)C(O)C1Cl
InChI KeyYUFPERJKUJKEMC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent 2-halopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl chlorides
  • azacyclic compounds
  • chlorohydrins
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monosaccharides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • chlorohydrin
  • aromatic heteromonocyclic compound
  • alkyl chloride
  • organochloride
  • monosaccharide
  • organohalogen compound
  • saccharide
  • acetal
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • 2-halopyridine
  • oxane
  • primary alcohol
  • alcohol
  • azacycle
  • halohydrin
  • heteroaromatic compound
  • hydroxypyridine
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound