| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:25 UTC |
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| Update Date | 2025-03-25 00:58:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234236 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8N2O2 |
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| Molecular Mass | 176.0586 |
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| SMILES | COC(=O)c1cc2ncccc2[nH]1 |
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| InChI Key | BXBHZLHTTHMUTG-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 | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethyl estersmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivatives |
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| Substituents | azacyclepolyhalopyridineheteroaromatic compoundmethylpyridinecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundpyrrolecarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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