| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:44 UTC |
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| Update Date | 2025-03-21 18:40:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131212 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C13H17N2O6+ |
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| Molecular Mass | 297.1081 |
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| SMILES | CC(=O)OCC1OC([n+]2cccc(C(N)=O)c2)C(O)C1O |
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| InChI Key | FAZNFABEYWBXHB-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 compoundscarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl grouparomatic heteromonocyclic compoundnicotinamidemonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cation1,2-diolalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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