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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:10 UTC
Update Date2025-03-21 18:35:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00108321
Frequency24.8
Structure
Chemical FormulaC16H22N2O3
Molecular Mass290.163
SMILESCC(C)CC1N=C(O)C(O)C(Cc2ccccc2)N=C1O
InChI KeyFCGHXAJTPAIGAA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepines
Subclass 1,4-diazepines
Direct Parent 1,4-diazepines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • para-diazepine
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound