| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:11 UTC |
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| Update Date | 2025-03-21 17:59:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022441 |
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| Frequency | 176.8 |
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| Structure | |
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| Chemical Formula | C25H35N3O7S |
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| Molecular Mass | 521.2196 |
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| SMILES | CC(C)CN(CC(O)C(Cc1ccc(O)cc1)NC(=O)OC1CCOC1)S(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | USMTXJRXYBLGGC-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 | 1-hydroxy-2-unsubstituted benzenoidsaminosulfonyl 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 compound1-hydroxy-2-unsubstituted benzenoidorganosulfur compounddialkyl etherorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesbenzenesulfonyl groupalcoholcarbonic acid derivativebenzenesulfonamideaminosulfonyl compoundtetrahydrofurancarbamic acid esteroxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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