| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:30 UTC |
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| Update Date | 2025-03-25 01:00:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241267 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O8 |
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| Molecular Mass | 328.0907 |
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| SMILES | CC(=O)Nc1cc(C(=O)O)n(C2OC(CO)C(O)C2O)c(=O)c1 |
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| InChI Key | BDNZKRFDDKFJBF-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 | pyridine-2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesacetamidesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesmonocarboxylic acids and derivativesmonosaccharidesn-acetylarylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholspyridinonessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundpolyhalopyridinemonosacchariden-arylamidecarboxylic acid derivativesaccharideorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundorganopnictogen compound2-halopyridineprimary alcoholacetamidealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundpyridinoneorganooxygen compound |
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