| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:27 UTC |
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| Update Date | 2025-03-25 00:53:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202285 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N2O2+ |
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| Molecular Mass | 167.0815 |
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| SMILES | C[n+]1ccc(CO)c(C(N)=O)c1 |
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| InChI Key | PDHAIVYLYPJIKO-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 | aromatic alcoholsazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesn-methylpyridinium compoundsnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidesvinylogous amides |
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| Substituents | aromatic alcoholprimary carboxylic acid amidepyridine carboxylic acid or derivativesn-methylpyridiniumaromatic heteromonocyclic compoundpolyhalopyridinenicotinamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide grouporganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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