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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:30 UTC
Update Date2025-03-25 00:46:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154674
Frequency0.5
Structure
Chemical FormulaC13H16N2O4
Molecular Mass264.111
SMILESCOc1ccc(C2CC3OC(N)=NC3CO2)cc1O
InChI KeyFWTYMCLCNCRPPG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • carboximidamides
  • dialkyl ethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • oxazolines
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • dialkyl ether
  • propargyl-type 1,3-dipolar organic compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • organoheterocyclic compound
  • azacycle
  • organic 1,3-dipolar compound
  • carboximidamide
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • oxazoline
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound