| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:56:55 UTC |
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| Update Date | 2025-03-24 21:51:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01912173 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C7H4N2O |
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| Molecular Mass | 132.0324 |
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| SMILES | N#CC(=O)c1ccccn1 |
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| InChI Key | XYJQTXWRLKINIE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesacyl cyanidesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridines and derivatives |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxidepyridineacyl cyanideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundcarbonitrileorganoheterocyclic compoundaryl ketone |
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