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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:51 UTC
Update Date2025-03-25 00:58:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230631
Frequency0.5
Structure
Chemical FormulaC11H14N2O3
Molecular Mass222.1004
SMILESCN1C(=O)C(O)C(O)CC1c1ccncc1
InChI KeySPQAXBCWMFQHFD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass piperidinones
Direct Parent piperidinones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • delta lactams
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • tertiary carboxylic acid amides
  • Substituents
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • piperidinone
  • 1,2-diol
  • alcohol
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • carboxamide group
  • delta-lactam
  • pyridine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound