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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:38:07 UTC
Update Date2025-03-21 17:57:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00011113
Frequency418.7
Structure
Chemical FormulaC9H13NO3
Molecular Mass183.0895
SMILESCOc1cc(O)c(CCN)cc1O
InChI KeyQJPNZUPVNUCQJP-UHFFFAOYSA-N
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
  • anisoles
  • hydrocarbon derivatives
  • hydroquinones
  • methoxybenzenes
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • methoxyphenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • methoxybenzene
  • hydroquinone
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound