| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:06 UTC |
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| Update Date | 2025-03-25 01:01:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249612 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8FN2O+ |
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| Molecular Mass | 155.0615 |
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| SMILES | C[n+]1cc(F)cc(C(N)=O)c1 |
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| InChI Key | JNCGCYIADGFUBQ-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 | aryl fluoridesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesn-methylpyridinium compoundsnicotinamidesorganic cationsorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidesvinylogous amides |
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| Substituents | aryl fluorideprimary carboxylic acid amidepyridine carboxylic acid or derivativesn-methylpyridiniumaromatic heteromonocyclic compoundpolyhalopyridinenicotinamidecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationvinylogous amideazacycleorganofluorideheteroaromatic compoundcarboxamide grouparyl halideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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