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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:18 UTC
Update Date2025-03-25 00:46:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154227
Frequency0.5
Structure
Chemical FormulaC12H13N3O3
Molecular Mass247.0957
SMILESCOc1cc(Cc2c[nH]c(=O)nc2N)ccc1O
InChI KeyNKBQBYBUXIMFNT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • methoxybenzenes
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • primary amines
  • pyrimidones
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • pyrimidone
  • alkyl aryl ether
  • pyrimidine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound