| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:30 UTC |
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| Update Date | 2025-03-21 18:30:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082576 |
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| Frequency | 35.0 |
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| Structure | |
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| Chemical Formula | C7H9NO2S3 |
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| Molecular Mass | 234.9795 |
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| SMILES | C=CCNC(=S)SCC(=S)C(=O)O |
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| InChI Key | CJVJYIBQINDULK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | dithiocarbamic acids and derivatives |
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| Subclass | dithiocarbamic acid esters |
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| Direct Parent | dithiocarbamic acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthioketones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundthiocarbonyl grouporganosulfur compoundcarboxylic acid derivativedithiocarbamic acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundthioketonehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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