| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:20 UTC |
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| Update Date | 2025-03-25 01:00:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245574 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2OS |
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| Molecular Mass | 196.067 |
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| SMILES | CCNC(=O)c1cccnc1SC |
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| InChI Key | UOHQLCPNUJJVHM-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 compoundspolyhalopyridinessecondary carboxylic acid amidessulfenyl compoundsvinylogous thioesters |
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| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpolyhalopyridinenicotinamidealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous thioestersulfenyl compoundazacycleheteroaromatic compoundmethylpyridinecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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