| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:28 UTC |
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| Update Date | 2025-03-21 18:01:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032453 |
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| Frequency | 112.5 |
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| Structure | |
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| Chemical Formula | C12H17N2O5+ |
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| Molecular Mass | 269.1132 |
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| SMILES | COC1C(O)C(CO)OC1[n+]1cccc(C(N)=O)c1 |
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| InChI Key | LLLWJVXHBRVMMK-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 | azacyclic compoundscarboxylic acids and derivativesdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary carboxylic acid amidessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesetheraromatic heteromonocyclic compoundnicotinamidemonosaccharidecarboxylic acid derivativedialkyl ethersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationprimary alcoholalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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