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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:34 UTC
Update Date2025-03-25 00:46:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154826
Frequency0.5
Structure
Chemical FormulaC21H28N2O4
Molecular Mass372.2049
SMILESCOc1ccc(C(O)CCCN2CCN(c3ccc(O)cc3)CC2)cc1O
InChI KeyOHZGCOTZYQEEBC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent phenylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • aniline and substituted anilines
  • anisoles
  • aromatic alcohols
  • azacyclic compounds
  • dialkylarylamines
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • n-alkylpiperazines
  • n-arylpiperazines
  • organopnictogen compounds
  • phenoxy compounds
  • phenylbutylamines
  • secondary alcohols
  • trialkylamines
  • p-aminophenols
    • Substituents
  • aromatic alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • phenylbutylamine
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • alcohol
  • azacycle
  • aniline or substituted anilines
  • n-alkylpiperazine
  • aminophenol
  • tertiary aliphatic amine
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • phenylpiperazine
  • organic oxygen compound
  • anisole
  • p-aminophenol
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • n-arylpiperazine
  • organooxygen compound