| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:57 UTC |
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| Update Date | 2025-03-25 00:48:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169180 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14NO+ |
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| Molecular Mass | 164.107 |
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| SMILES | CCCc1c(C=O)ccc[n+]1C |
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| InChI Key | JPRXDFMTGRUEJZ-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 | 2-halopyridinesaryl-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 compoundaldehydemethylpyridineorganic oxidearyl-aldehydeorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganic cationorganooxygen compound |
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