| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:08 UTC |
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| Update Date | 2025-03-25 00:54:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206112 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7N2O5S+ |
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| Molecular Mass | 219.007 |
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| SMILES | NC(=O)c1cccc[n+]1OS(=O)(=O)O |
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| InChI Key | FCVCJQNLTCFDRG-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 | 2-halopyridines2-heteroaryl carboxamidesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic cationsorganic oxidesorganic sulfuric acids and derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesorganic sulfuric acid or derivativesaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupcarboxylic acid derivative2-heteroaryl carboxamideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganic cationorganooxygen compound |
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