| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:20 UTC |
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| Update Date | 2025-03-21 18:33:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096405 |
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| Frequency | 28.7 |
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| Structure | |
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| Chemical Formula | C11H17N2O11P2+ |
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| Molecular Mass | 415.0302 |
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| SMILES | NC(=O)c1ccc[n+](C2OC(CO[PH](=O)(=O)OP(=O)(O)O)C(O)C2O)c1 |
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| InChI Key | WQLXCWBSSPMDRR-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 | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganic phosphoric acids and derivativesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundnicotinamidemonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cation1,2-diolalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide groupoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativeorganooxygen compound |
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