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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:15 UTC
Update Date2025-03-25 00:46:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154087
Frequency0.5
Structure
Chemical FormulaC11H16NO3+
Molecular Mass210.1125
SMILESCOc1cc(CCC[N+](C)=O)ccc1O
InChI KeyAFAYYBJGGMTIPD-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • aminoxides
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic cations
  • organic oxides
  • organic oxoazanium compounds
  • organopnictogen compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • aminoxide
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic oxoazanium
  • phenoxy compound
  • organooxygen compound