| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:15 UTC |
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| Update Date | 2025-03-25 00:46:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154079 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14NO3+ |
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| Molecular Mass | 196.0968 |
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| SMILES | COc1cc(CCC(=O)O)c[n+](C)c1 |
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| InChI Key | WONXBXRLMHUVNB-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 | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesn-methylpyridinium compoundsorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupethercarboxylic acidn-methylpyridiniumaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridinealkyl aryl ethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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