| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:52 UTC |
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| Update Date | 2025-03-21 18:06:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064208 |
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| Frequency | 47.9 |
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| Structure | |
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| Chemical Formula | C13H11N |
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| Molecular Mass | 181.0891 |
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| SMILES | c1ccc2c(c1)CCc1cccnc1-2 |
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| InChI Key | ABZNEZPVMYMNQJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivatives |
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| Substituents | azacyclepolyhalopyridineheteroaromatic compoundpyridinenaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganoheterocyclic compound |
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