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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:37 UTC
Update Date2025-03-25 00:48:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166156
Frequency0.5
Structure
Chemical FormulaC11H16N2O2
Molecular Mass208.1212
SMILESCC1CNc2cc(O)c(O)cc2N(C)C1
InChI KeyFSMWJTYBLHEJDD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodiazepines
Subclass benzodiazepines
Direct Parent benzodiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-diazepines
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • dialkylarylamines
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • secondary alkylarylamines
    • Substituents
  • azacycle
  • benzodiazepine
  • 1-hydroxy-2-unsubstituted benzenoid
  • secondary amine
  • secondary aliphatic/aromatic amine
  • para-diazepine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • dialkylarylamine
  • amine
  • tertiary amine
  • organooxygen compound