| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:42 UTC |
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| Update Date | 2025-03-21 18:38:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119311 |
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| Frequency | 21.8 |
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| Structure | |
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| Chemical Formula | C9H12NO2+ |
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| Molecular Mass | 166.0863 |
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| SMILES | CCOC(=O)c1ccc[n+](C)c1 |
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| InChI Key | XJUXFKCRNPPJFA-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 | pyridine-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-methylpyridinium compoundsorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amiden-methylpyridiniumaromatic heteromonocyclic compoundazacyclepyridine-3-carboxylic acidheteroaromatic compoundmethylpyridinecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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