| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:29 UTC |
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| Update Date | 2025-03-25 00:56:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220976 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO2 |
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| Molecular Mass | 163.0633 |
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| SMILES | O=C(O)c1ccncc1C1CC1 |
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| InChI Key | YFEUTSSBMQWQAD-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 |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundpyridine carboxylic acidorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compoundorganooxygen compound |
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