| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:50 UTC |
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| Update Date | 2025-03-21 18:01:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030942 |
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| Frequency | 119.7 |
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| Structure | |
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| Chemical Formula | C11H15N2O8S+ |
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| Molecular Mass | 335.0544 |
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| SMILES | NC(=O)c1ccc[n+](C2OC(COS(=O)(=O)O)C(O)C2O)c1 |
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| InChI Key | FMDNLPRLHARNFK-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-diolsalkyl sulfatesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidessecondary alcoholssulfuric acid monoesterstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativessulfuric acid monoesteraromatic heteromonocyclic compoundnicotinamidemonosaccharidecarboxylic acid derivativesaccharideorganic oxidealkyl sulfateorganonitrogen compoundorganopnictogen compoundorganic cation1,2-diolalcoholvinylogous amideorganic sulfuric acid or derivativesazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide groupoxacycleorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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