| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:36 UTC |
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| Update Date | 2025-03-21 18:31:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085152 |
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| Frequency | 33.6 |
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| Structure | |
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| Chemical Formula | C12H9N |
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| Molecular Mass | 167.0735 |
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| SMILES | c1ccc2c(c1)Cc1ncccc1-2 |
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| InChI Key | PFWJFKBTIBAASX-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-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundspyridines and derivatives |
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| Substituents | azacyclepolyhalopyridineheteroaromatic compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compound |
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