| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:58 UTC |
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| Update Date | 2025-03-21 18:05:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054987 |
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| Frequency | 58.3 |
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| Structure | |
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| Chemical Formula | C3H5NO2S |
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| Molecular Mass | 119.0041 |
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| SMILES | CS(=O)(=O)CC#N |
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| InChI Key | FOTRKCAZUSJCQD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | sulfonyls |
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| Subclass | sulfones |
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| Direct Parent | sulfones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundnitrileorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrilesulfone |
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