| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:59 UTC |
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| Update Date | 2025-03-25 00:53:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201264 |
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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 | COc1cc[n+](C)cc1C(N)=O |
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| InChI Key | DANWCNYLUPIATD-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 | alkyl aryl ethersazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesn-methylpyridinium compoundsnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesethern-methylpyridiniumaromatic heteromonocyclic compoundpolyhalopyridinenicotinamidealkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationvinylogous amideazacycleheteroaromatic compoundmethylpyridinecarboxamide grouporganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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