| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:59 UTC |
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| Update Date | 2025-03-21 18:30:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081366 |
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| Frequency | 35.6 |
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| Structure | |
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| Chemical Formula | C12H17N2O4S+ |
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| Molecular Mass | 285.0904 |
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| SMILES | CSCC1OC([n+]2cccc(C(N)=O)c2)C(O)C1O |
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| InChI Key | FGNQXRHTXMQANO-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-diolsazacyclic compoundscarboxylic acids and derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidessecondary alcoholssulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundnicotinamidemonosaccharideorganosulfur compoundcarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cation1,2-diolalcoholvinylogous amidesulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupoxacycleorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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