| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:36 UTC |
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| Update Date | 2025-03-25 01:01:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248456 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O2S |
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| Molecular Mass | 200.0619 |
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| SMILES | Cn1cncc1SCCCC(=O)O |
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| InChI Key | HROGDQWPQQGJIX-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 | alkylarylthioethersazacyclic compoundscarbonyl compoundscarboxylic acidsfatty acylsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolesulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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