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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:40 UTC
Update Date2025-03-21 18:37:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00114405
Frequency23.1
Structure
Chemical FormulaC12H13N3O3
Molecular Mass247.0957
SMILESCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12
InChI KeyPKDUVHDAPLRJMS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • indole
  • allyl-type 1,3-dipolar organic compound
  • carboxylic acid derivative
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • acetamide
  • nitroaromatic compound
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite