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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:19 UTC
Update Date2025-03-21 18:34:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00101288
Frequency27.0
Structure
Chemical FormulaC13H17NO4
Molecular Mass251.1158
SMILESCOc1cc(CNC2C=CC(O)C2O)ccc1O
InChI KeyFPHCTKQCNHJMEC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • dialkylamines
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organonitrogen compound
  • organopnictogen compound
  • 1,2-diol
  • alcohol
  • secondary aliphatic amine
  • secondary amine
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine