| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:42 UTC |
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| Update Date | 2025-03-21 18:35:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104716 |
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| Frequency | 25.9 |
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| Structure | |
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| Chemical Formula | C21H27N3O6S |
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| Molecular Mass | 449.1621 |
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| SMILES | Nc1ccc(S(=O)(=O)NCC(O)C(Cc2ccccc2)NC(=O)OC2CCOC2)cc1 |
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| InChI Key | CKMUYMKSFMGMKT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsamphetamines and derivativesbenzenesulfonamidesbenzenesulfonyl compoundscarbamate esterscarbonyl compoundsdialkyl ethershydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofurans |
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| Substituents | organosulfonic acid or derivativescarbonyl groupetheraromatic heteromonocyclic compoundorganosulfur compounddialkyl etherorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesbenzenesulfonyl groupalcoholcarbonic acid derivativebenzenesulfonamideaminosulfonyl compoundtetrahydrofurancarbamic acid esteroxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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