| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:57 UTC |
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| Update Date | 2025-03-21 18:04:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050385 |
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| Frequency | 65.2 |
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| Structure | |
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| Chemical Formula | C12H11N |
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| Molecular Mass | 169.0891 |
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| SMILES | Cc1ccc(-c2ccccn2)cc1 |
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| InChI Key | KJNZQKYSNAQLEO-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 | benzene and substituted derivatives |
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| Subclass | toluenes |
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| Direct Parent | toluenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundmethylpyridinepyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundtolueneorganoheterocyclic compound |
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