| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:52 UTC |
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| Update Date | 2025-03-21 18:29:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078688 |
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| Frequency | 37.2 |
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| Structure | |
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| Chemical Formula | C11H14NO9S+ |
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| Molecular Mass | 336.0384 |
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| SMILES | O=C(O)c1ccc[n+](C2OC(COS(=O)(=O)O)C(O)C2O)c1 |
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| InChI Key | SGWOCTSIXLZHHN-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 | pyridine-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl sulfatesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssulfuric acid monoesterstetrahydrofuransvinylogous amides |
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| Substituents | sulfuric acid monoestercarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidmonosaccharidecarboxylic acid derivativesaccharideorganic oxidealkyl sulfateorganonitrogen compoundorganopnictogen compoundorganic cation1,2-diolalcoholvinylogous amideorganic sulfuric acid or derivativesazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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