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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:19 UTC
Update Date2025-03-21 18:37:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00113531
Frequency23.3
Structure
Chemical FormulaC10H10N2O2
Molecular Mass190.0742
SMILESO=[N+]([O-])CCc1c[nH]c2ccccc12
InChI KeyWPXDYLYFORNDRP-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
  • benzenoids
  • c-nitro compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • azacycle
  • indole
  • heteroaromatic compound
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • c-nitro compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic oxoazanium
  • organic hyponitrite