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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:01 UTC
Update Date2025-03-25 00:59:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235669
Frequency0.5
Structure
Chemical FormulaC13H15N3O4
Molecular Mass277.1063
SMILESCOc1ccc2[nH]cc(CCNC(O)=C[N+](=O)[O-])c2c1
InChI KeyUDFQIDRGXLSQQE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkanolamines
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • c-nitro compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • phenol ether
  • ether
  • indole
  • allyl-type 1,3-dipolar organic compound
  • alkyl aryl ether
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • alkanolamine
  • secondary aliphatic amine
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • secondary amine
  • organic oxygen compound
  • anisole
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine
  • organic hyponitrite