| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:05 UTC |
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| Update Date | 2025-03-21 18:37:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117835 |
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| Frequency | 22.2 |
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| Structure | |
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| Chemical Formula | C11H15N2O6+ |
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| Molecular Mass | 271.0925 |
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| SMILES | NC(=O)c1ccc[n+](C2OOC(CO)C(O)C2O)c1 |
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| InChI Key | ZHGFQVUSFWTAAC-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-dioxanesazacyclic compoundscarboxylic acids and derivativesdialkyl peroxidesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary carboxylic acid amidessecondary alcoholsvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundnicotinamidecarboxylic acid derivativeorganic oxidedialkyl peroxideorganonitrogen compoundorganopnictogen compoundorganic cationprimary alcoholalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundortho-dioxaneorganooxygen compound |
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