| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:08 UTC |
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| Update Date | 2025-03-25 01:01:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249685 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO |
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| Molecular Mass | 199.0997 |
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| SMILES | Cc1ccc(-c2cnc(C)c(O)c2)cc1 |
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| InChI Key | VWAPPULXGVBFRU-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 heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundstoluenes |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundtolueneorganooxygen compound |
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