| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:21 UTC |
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| Update Date | 2025-03-25 00:55:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213765 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9N3O |
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| Molecular Mass | 175.0746 |
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| SMILES | CNC(=O)c1c[nH]c2cccnc12 |
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| InChI Key | SPLJSLQCZDOHNI-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 compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxamidessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | vinylogous amideazacyclepyrrole-3-carboxylic acid or derivativespolyhalopyridineheteroaromatic compoundmethylpyridinecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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