| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:34:29 UTC |
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| Update Date | 2025-03-25 01:06:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02280236 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8N2 |
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| Molecular Mass | 132.0687 |
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| SMILES | CC(C#N)c1ccccn1 |
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| InChI Key | QIFCCMQWTPKAJU-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 | methylpyridines |
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| Direct Parent | methylpyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacycleheteroaromatic compoundmethylpyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundcarbonitrile |
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