| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:19 UTC |
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| Update Date | 2025-03-25 00:50:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179220 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N2OS |
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| Molecular Mass | 182.0514 |
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| SMILES | CSc1ncc(C)cc1C(N)=O |
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| InChI Key | SUBVQZFCEMVPSV-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 | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkylarylthioethersazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesnicotinamidesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidessulfenyl compoundsvinylogous thioesters |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpolyhalopyridinenicotinamidealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous thioestersulfenyl compoundazacycleheteroaromatic compoundmethylpyridinecarboxamide grouporganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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