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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:40 UTC
Update Date2025-03-25 00:46:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157277
Frequency0.5
Structure
Chemical FormulaC10H12N2O2
Molecular Mass192.0899
SMILESO=C1CCNC(c2ccc(O)cc2)N1
InChI KeyNTMLJZVUSXHOHW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • diazinanes
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • 1,3-diazinane
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine