| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:24 UTC |
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| Update Date | 2025-03-25 00:53:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202169 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C3H3NO2S |
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| Molecular Mass | 116.9884 |
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| SMILES | CS(=O)C(=O)C#N |
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| InChI Key | OQICZMCQLCTFKF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | thiolactones |
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| Subclass | thiolactones |
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| Direct Parent | thiolactones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfinyl compoundssulfoxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupnitrileorganosulfur compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundthiolactonecarbonitrileorganooxygen compound |
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