| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:25:37 UTC |
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| Update Date | 2025-03-25 00:17:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01265997 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C6H8O2S |
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| Molecular Mass | 144.0245 |
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| SMILES | CSC=CC(=O)C(C)=O |
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| InChI Key | BXEJMVVGOLFODU-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 | alpha-diketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsenoneshydrocarbon derivativesorganic oxidessulfenyl compoundsthioenol ethersvinylogous thioesters |
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| Substituents | vinylogous thioesteraliphatic acyclic compoundsulfenyl compoundalpha,beta-unsaturated ketoneorganosulfur compoundalpha-diketoneorganic oxidethioenoletherhydrocarbon derivativeacryloyl-groupenone |
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