| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:51 UTC |
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| Update Date | 2025-03-25 00:51:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187299 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8N2OS |
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| Molecular Mass | 156.0357 |
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| SMILES | CC(=O)Sc1cncn1C |
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| InChI Key | CMTHLFWLBWPXCP-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 | thioethers |
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| Subclass | aryl thioethers |
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| Direct Parent | aryl thioethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthioestersthiolactones |
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| Substituents | thiocarboxylic acid or derivativescarbonyl groupsulfenyl compoundaromatic heteromonocyclic compoundazacyclethiocarboxylic acid esterheteroaromatic compoundcarboxylic acid derivativearyl thioethercarbothioic s-esterorganic oxideorganic oxygen compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundthiolactoneorganoheterocyclic compoundorganooxygen compoundazolen-substituted imidazole |
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