| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:53 UTC |
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| Update Date | 2025-03-25 00:52:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194105 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H24N3O2S+ |
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| Molecular Mass | 286.1584 |
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| SMILES | CNC(=O)NCCSCc1ccc(C[N+](C)(C)C)o1 |
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| InChI Key | DJWJGKMPGZQSIL-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | aralkylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundsdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsoxacyclic compoundssulfenyl compoundstetraalkylammonium salts |
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| Substituents | furancarbonyl grouparomatic heteromonocyclic compoundorganosulfur compoundaralkylamineorganic oxideorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundcarbonic acid derivativesulfenyl compoundtetraalkylammonium saltdialkylthioetherquaternary ammonium saltheteroaromatic compoundoxacycleorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compound |
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