| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:04 UTC |
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| Update Date | 2025-03-25 00:58:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231153 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H27NO3S |
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| Molecular Mass | 325.1712 |
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| SMILES | CCCN(CCC)S(=O)(=O)c1ccc(C(=O)CC(C)C)cc1 |
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| InChI Key | XSMXBGXYZJBZTJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsaryl alkyl ketonesbenzenesulfonamidesbenzenesulfonyl compoundsbenzoyl derivativesbutyrophenoneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyaryl alkyl ketonebenzoylorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundbutyrophenonearomatic homomonocyclic compoundsulfonylorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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