| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:30 UTC |
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| Update Date | 2025-03-25 00:59:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234445 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13N2O+ |
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| Molecular Mass | 213.1022 |
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| SMILES | C[n+]1cccc(C(N)=O)c1-c1ccccc1 |
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| InChI Key | NVGDSYBJEQOCBG-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 | 2-halopyridinesazacyclic compoundsbenzene and substituted derivativescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesn-methylpyridinium compoundsnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesmonocyclic benzene moietyn-methylpyridiniumaromatic heteromonocyclic compoundpolyhalopyridinenicotinamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationvinylogous amideazacycleheteroaromatic compoundcarboxamide grouporganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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