| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:34:03 UTC |
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| Update Date | 2025-03-24 22:16:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01139358 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C8H10NO+ |
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| Molecular Mass | 136.0757 |
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| SMILES | Cc1cc(C=O)c[n+](C)c1 |
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| InChI Key | CXRXDXUSLIMZGN-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 | aryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesn-methylpyridinium compoundsorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine carboxaldehydesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativesvinylogous amide3-pyridine carboxaldehyden-methylpyridiniumaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundaldehydeorganic oxidearyl-aldehydeorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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