| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:06 UTC |
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| Update Date | 2025-03-21 18:06:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064744 |
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| Frequency | 47.5 |
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| Structure | |
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| Chemical Formula | C21H27N3O7S |
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| Molecular Mass | 465.157 |
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| SMILES | Nc1ccc(S(=O)(=O)N(O)CC(O)C(Cc2ccccc2)NC(=O)OC2CCOC2)cc1 |
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| InChI Key | RJUGBAQVFPYXJD-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 derivativesn-organohydroxylaminesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acids and derivativesoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofurans |
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| Substituents | organosulfonic acid or derivativescarbonyl groupetheraromatic heteromonocyclic compoundorganosulfur compounddialkyl etherorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesbenzenesulfonyl groupalcoholcarbonic acid derivativebenzenesulfonamideaminosulfonyl compoundtetrahydrofurancarbamic acid estern-organohydroxylamineoxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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