| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:39:09 UTC |
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| Update Date | 2025-03-21 18:47:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00155306 |
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| Frequency | 15.5 |
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| Structure | |
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| Chemical Formula | C8H7NO |
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| Molecular Mass | 133.0528 |
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| SMILES | O=C1CCc2cccnc21 |
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| InChI Key | ZULJQRMXUOTWBU-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-halopyridinesaryl alkyl ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridines and derivatives |
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| Substituents | aryl alkyl ketoneazacyclepolyhalopyridineheteroaromatic compoundketoneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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