| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:07:40 UTC |
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| Update Date | 2025-03-24 20:37:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01508046 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C8H10NO+ |
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| Molecular Mass | 136.0757 |
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| SMILES | Oc1ccc2[n+](c1)CCC2 |
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| InChI Key | YHUCXKARQBOHBR-UHFFFAOYSA-O |
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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-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic cationsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | azacyclepolyhalopyridineheteroaromatic compoundhydroxypyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganic cationorganooxygen compound |
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