| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:25 UTC |
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| Update Date | 2025-03-25 00:59:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238761 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15N3O3 |
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| Molecular Mass | 249.1113 |
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| SMILES | NC(=O)C1CCN(C(=O)c2ccc[n+]([O-])c2)CC1 |
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| InChI Key | PLFZORWUYSOAAZ-UHFFFAOYSA-N |
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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 compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesn-acylpiperidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxamidesprimary carboxylic acid amidestertiary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesvinylogous amidecarbonyl grouparomatic heteromonocyclic compoundazacyclepiperidinecarboxamideheteroaromatic compoundcarboxamide groupcarboxylic acid derivativen-acyl-piperidineorganic oxideorganic oxygen compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpiperidineorganooxygen compound |
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