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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:34 UTC
Update Date2025-03-25 00:49:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177534
Frequency0.5
Structure
Chemical FormulaC10H11NO3
Molecular Mass193.0739
SMILESCOc1cc(C2CC=NO2)ccc1O
InChI KeyFNKVIPAMRQSHQQ-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
  • hydrocarbon derivatives
  • isoxazolines
  • methoxybenzenes
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • isoxazoline
  • alkyl aryl ether
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organoheterocyclic compound
  • organooxygen compound