| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:11 UTC |
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| Update Date | 2025-03-25 00:51:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188063 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N2O4+ |
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| Molecular Mass | 253.1183 |
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| SMILES | CC(=O)Nc1cc[n+](C2CC(O)C(CO)O2)cc1 |
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| InChI Key | XINYLSAMCWISBI-UHFFFAOYSA-O |
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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 | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonosaccharidesorganic cationsorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl groupn-acetylarylaminearomatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganopnictogen compoundorganic cationprimary alcoholorganoheterocyclic compoundacetamidealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupoxacyclesecondary carboxylic acid amidepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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