| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:39 UTC |
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| Update Date | 2025-03-25 00:58:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232481 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O2S |
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| Molecular Mass | 224.0871 |
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| SMILES | CCC=CCS(=O)(=O)c1ccc(C)cc1 |
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| InChI Key | PQMHGNJLBIFDJC-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 | toluenes |
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| Direct Parent | tosyl compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzenesulfonyl compoundshydrocarbon derivativesorganic oxidessulfones |
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| Substituents | tosyl compoundorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundhydrocarbon derivativesulfonebenzenesulfonyl group |
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