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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:45 UTC
Update Date2025-03-25 00:46:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155286
Frequency0.5
Structure
Chemical FormulaC16H16N2
Molecular Mass236.1313
SMILESCc1cc2[nH]c(-c3ccccc3)c(N)c2cc1C
InChI KeyWGXWXKQRUSWBOE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • primary amines
  • pyrroles
    • Substituents
  • monocyclic benzene moiety
  • azacycle
  • indole
  • heteroaromatic compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine