| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:13 UTC |
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| Update Date | 2025-03-21 18:07:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067462 |
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| Frequency | 45.1 |
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| Structure | |
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| Chemical Formula | C11H14NO6+ |
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| Molecular Mass | 256.0816 |
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| SMILES | O=C(O)c1ccc[n+](C2C(O)C(O)C(O)C2O)c1 |
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| InChI Key | GWNIFLJWAWHEJB-UHFFFAOYSA-O |
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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-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidscyclitols and derivativescyclopentanolsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecyclitol or derivativescyclic alcoholcyclopentanolmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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