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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:50 UTC
Update Date2025-03-25 00:50:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178173
Frequency0.5
Structure
Chemical FormulaC31H31Cl2N5O5
Molecular Mass623.1702
SMILESCn1cc(C(=O)N2CCN(c3ccc(OCC4COC(Cn5ccnc5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)ccc1=O
InChI KeyGLBCQNNHGBEKBU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent phenylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • alkyl aryl ethers
  • amino acids and derivatives
  • aminophenyl ethers
  • aniline and substituted anilines
  • aryl chlorides
  • azacyclic compounds
  • carboxylic acids and derivatives
  • dialkylarylamines
  • dichlorobenzenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • ketals
  • lactams
  • n-arylpiperazines
  • n-substituted imidazoles
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • oxacyclic compounds
  • phenoxy compounds
  • pyridinecarboxylic acids and derivatives
  • pyridinones
  • tertiary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • pyridine carboxylic acid or derivatives
  • phenol ether
  • monocyclic benzene moiety
  • lactam
  • amino acid or derivatives
  • organochloride
  • 1,3-dichlorobenzene
  • acetal
  • ketal
  • organonitrogen compound
  • aminophenyl ether
  • aryl chloride
  • chlorobenzene
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • aryl halide
  • phenylpiperazine
  • pyridine
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • amine
  • meta-dioxolane
  • ether
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • imidazole
  • tertiary aliphatic/aromatic amine
  • tertiary carboxylic acid amide
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • azole
  • n-substituted imidazole
  • aniline or substituted anilines
  • carboxamide group
  • oxacycle
  • organic oxygen compound
  • benzenoid
  • organic nitrogen compound
  • pyridinone
  • n-arylpiperazine
  • organooxygen compound