| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:44 UTC |
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| Update Date | 2025-03-25 00:47:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159599 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H13NOS2 |
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| Molecular Mass | 191.0439 |
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| SMILES | O=CNCCCC1CCSS1 |
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| InChI Key | HQIRBPYQVGXYQS-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 | dithiolanes |
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| Subclass | 1,2-dithiolanes |
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| Direct Parent | 1,2-dithiolanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxamide groupcarboxylic acid derivative1,2-dithiolanesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganic disulfidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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