| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:12 UTC |
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| Update Date | 2025-03-25 00:56:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217998 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9N |
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| Molecular Mass | 107.0735 |
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| SMILES | CC=CC(C)=CC#N |
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| InChI Key | PGNRINQZNWBYRY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | organic cyanides |
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| Direct Parent | nitriles |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundnitrileorganopnictogen compoundhydrocarbon derivativecarbonitrile |
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