| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:35:04 UTC |
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| Update Date | 2025-03-21 22:51:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00568586 |
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| Frequency | 2.9 |
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| Structure | |
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| Chemical Formula | C7H8NO+ |
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| Molecular Mass | 122.06 |
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| SMILES | c1cc[n+]2c(c1)OCC2 |
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| InChI Key | ZDNGHJUQGMLXHP-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-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyridines and derivatives |
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| Substituents | azacycleheteroaromatic compoundalkyl aryl etheroxacyclepyridinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganic cationorganoheterocyclic compound |
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