| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:48 UTC |
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| Update Date | 2025-03-25 00:46:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153011 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N3O3+ |
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| Molecular Mass | 234.0873 |
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| SMILES | NC(=O)c1ccc[n+](CC2(O)C=CC(=O)N2)c1 |
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| InChI Key | MRESGLMJDLPQHL-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 | alkanolaminesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrrolinessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl grouplactamaromatic heteromonocyclic compoundnicotinamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationalkanolaminevinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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