Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 08:03:17 UTC |
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Update Date | 2025-03-24 22:28:47 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID01210777 |
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Frequency | 1.1 |
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Structure | |
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Chemical Formula | C4H3NS |
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Molecular Mass | 96.9986 |
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SMILES | C=C=CN=C=S |
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InChI Key | JNSHDMBXJYQLES-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 | isothiocyanates |
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Subclass | isothiocyanates |
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Direct Parent | isothiocyanates |
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Geometric Descriptor | aliphatic acyclic compounds |
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Alternative Parents | hydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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Substituents | aliphatic acyclic compoundisothiocyanateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic 1,3-dipolar compoundorganic nitrogen compoundpropargyl-type 1,3-dipolar organic compound |
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