| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:30 UTC |
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| Update Date | 2025-03-25 00:52:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195498 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N2O4+ |
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| Molecular Mass | 253.1183 |
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| SMILES | CC1OC([n+]2cccc(C(N)=O)c2)CC(O)C1O |
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| InChI Key | NGTNEXRZYUDTPE-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 derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary carboxylic acid amidessecondary alcoholsvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundnicotinamidemonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationoxane1,2-diolalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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