| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:31:35 UTC |
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| Update Date | 2025-03-24 20:21:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01423044 |
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| Frequency | 0.9 |
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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 | C[n+]1ccccc1CC=O |
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| InChI Key | BNICAENAXTZYFW-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 | methylpyridines |
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| Direct Parent | n-methylpyridinium compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha-hydrogen aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridines and derivatives |
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| Substituents | carbonyl groupn-methylpyridiniumaromatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydeorganic oxideorganic oxygen compoundalpha-hydrogen aldehydeorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganic cationorganooxygen compound |
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