| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:01 UTC |
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| Update Date | 2025-03-25 00:58:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231033 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO3S2 |
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| Molecular Mass | 299.065 |
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| SMILES | CCN(CC)C(=S)S(=O)(=O)c1ccc(C(C)=O)cc1 |
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| InChI Key | VPOUNEIZYYIGEG-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 | acetophenonesaryl alkyl ketonesbenzenesulfonyl compoundsbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfones |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganonitrogen compoundacetophenoneorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketonesulfonebenzenesulfonyl group |
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