| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:29:59 UTC |
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| Update Date | 2025-03-24 20:21:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01419193 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C8H8NO+ |
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| Molecular Mass | 134.06 |
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| SMILES | O=C1CC[n+]2ccccc21 |
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| InChI Key | GXLSAQFLGFEJEI-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 alkyl ketones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridines and derivatives |
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| Substituents | aryl alkyl ketoneazacycleheteroaromatic compoundorganic oxidepyridinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganic cationorganoheterocyclic compound |
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