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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:57 UTC
Update Date2025-03-21 18:37:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117516
Frequency22.3
Structure
Chemical FormulaC31H44N4O7S
Molecular Mass616.2931
SMILESCC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC(C)C)CC(O)C(Cc3ccccc3)NC(=O)OC3CCOC3)cc2)CC1
InChI KeyHENFXGIEVBMHBT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent phenylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • amino acids and derivatives
  • aminobenzenesulfonamides
  • aminosulfonyl compounds
  • amphetamines and derivatives
  • aniline and substituted anilines
  • azacyclic compounds
  • benzenesulfonyl compounds
  • carbamate esters
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkyl ethers
  • dialkylarylamines
  • hydrocarbon derivatives
  • n-arylpiperazines
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
  • oxacyclic compounds
  • phenylbutylamines
  • secondary alcohols
  • tertiary carboxylic acid amides
  • tetrahydrofurans
    • Substituents
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • carbonyl group
  • aminobenzenesulfonamide
  • ether
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • organosulfur compound
  • carboxylic acid derivative
  • dialkyl ether
  • organosulfonic acid amide
  • organic oxide
  • phenylbutylamine
  • tertiary aliphatic/aromatic amine
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • acetamide
  • amphetamine or derivatives
  • benzenesulfonyl group
  • alcohol
  • benzenesulfonamide
  • carbonic acid derivative
  • azacycle
  • aminosulfonyl compound
  • tetrahydrofuran
  • aniline or substituted anilines
  • carbamic acid ester
  • carboxamide group
  • phenylpiperazine
  • oxacycle
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • n-arylpiperazine
  • organooxygen compound