| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:03:32 UTC |
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| Update Date | 2025-03-24 20:35:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01497983 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C7H8NO2+ |
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| Molecular Mass | 138.055 |
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| SMILES | OC1COc2cccc[n+]21 |
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| InChI Key | YCRMTDJTAXRZKX-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 | ethers |
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| Direct Parent | alkyl aryl ethers |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkanolaminesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | azacycleheteroaromatic compoundhydroxypyridinealkyl aryl etheroxacyclepyridinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganic cationorganoheterocyclic compoundalkanolamine |
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