| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:48 UTC |
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| Update Date | 2025-03-25 00:46:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153012 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14N2O7P+ |
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| Molecular Mass | 305.0533 |
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| SMILES | NC(=O)c1ccc[n+](CC(=O)C(O)COP(=O)(O)O)c1 |
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| InChI Key | KSODXMPGXYWJON-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 | acyloinsalpha-hydroxy ketonesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary alcoholsvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl grouparomatic heteromonocyclic compoundnicotinamidemonosaccharidealpha-hydroxy ketonecarboxylic acid derivativeketonesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide grouporganic oxygen compoundphosphoric acid estermonoalkyl phosphateacyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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