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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:55 UTC
Update Date2025-03-21 18:35:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105259
Frequency25.7
Structure
Chemical FormulaC25H35N3O6S
Molecular Mass505.2247
SMILESCC(C)CN(CC(NC(=O)OC1CCOC1)C(O)Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChI KeyCUAPCHBBCKZOKR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • benzenesulfonamides
  • benzenesulfonyl compounds
  • carbamate esters
  • carbonyl compounds
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
  • oxacyclic compounds
  • primary amines
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • organosulfonic acid or derivatives
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • organosulfur compound
  • dialkyl ether
  • organosulfonic acid amide
  • organic oxide
  • phenylbutylamine
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • benzenesulfonyl group
  • alcohol
  • carbonic acid derivative
  • benzenesulfonamide
  • aminosulfonyl compound
  • tetrahydrofuran
  • carbamic acid ester
  • oxacycle
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound