| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:24:56 UTC |
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| Update Date | 2025-03-25 01:25:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02396736 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9N |
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| Molecular Mass | 131.0735 |
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| SMILES | Cc1cc(C)c2nc1C=C2 |
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| InChI Key | OHSRPQFMQNKVFX-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 compoundsheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundspyridines and derivatives |
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| Substituents | azacyclearomatic heteropolycyclic compoundpolyhalopyridineheteroaromatic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compound |
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