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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:11 UTC
Update Date2025-03-25 00:53:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199400
Frequency0.5
Structure
Chemical FormulaC16H26N2O3
Molecular Mass294.1943
SMILESCc1cccc(CN2CCN(CCOCCO)CC2)c1O
InChI KeyICZJZXJEWAKTTJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass cresols
Direct Parent ortho cresols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • alcohols and polyols
  • aralkylamines
  • azacyclic compounds
  • benzylamines
  • dialkyl ethers
  • hydrocarbon derivatives
  • n-alkylpiperazines
  • organopnictogen compounds
  • phenylmethylamines
  • toluenes
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • dialkyl ether
  • aralkylamine
  • piperazine
  • o-cresol
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • 1-hydroxy-4-unsubstituted benzenoid
  • phenylmethylamine
  • organic oxygen compound
  • benzylamine
  • 1,4-diazinane
  • hydrocarbon derivative
  • organic nitrogen compound
  • toluene
  • amine
  • organooxygen compound