| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:05 UTC |
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| Update Date | 2025-03-21 18:05:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057601 |
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| Frequency | 55.0 |
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| Structure | |
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| Chemical Formula | C9H11NO |
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| Molecular Mass | 149.0841 |
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| SMILES | CCc1ncccc1C(C)=O |
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| InChI Key | WLMSNMGGIQCGKW-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 heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl alkyl ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundmethylpyridineketoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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