| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:44 UTC |
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| Update Date | 2025-03-21 18:03:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047525 |
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| Frequency | 70.1 |
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| Structure | |
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| Chemical Formula | C8H11N3O2 |
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| Molecular Mass | 181.0851 |
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| SMILES | CC(=O)Nc1c(N)n(C)ccc1=O |
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| InChI Key | ZAFGGXAQKICNRM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | n-arylamides |
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| Direct Parent | n-acetylarylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesacetamidesamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativescyclic ketonesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary aminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupn-acetylarylaminearomatic heteromonocyclic compoundamino acid or derivativespolyhalopyridinecyclic ketonecarboxylic acid derivativeorganic oxideorganopnictogen compound2-halopyridineorganoheterocyclic compoundacetamidevinylogous amideazacycleheteroaromatic compoundmethylpyridinecarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundhydrocarbon derivativeprimary amineamineorganooxygen compound |
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