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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:09 UTC
Update Date2025-03-25 00:50:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181157
Frequency0.5
Structure
Chemical FormulaC13H16N2O4
Molecular Mass264.111
SMILESO=C(O)CC1NC(=O)NC(Cc2ccccc2)C1O
InChI KeyNTRVARHYCCJZSU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • diazinanes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • carbonic acid derivative
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • pyrimidone
  • carboxylic acid derivative
  • 1,3-diazinane
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound