| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:22:22 UTC |
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| Update Date | 2025-03-24 22:02:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01972259 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C8H9NO |
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| Molecular Mass | 135.0684 |
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| SMILES | CC1=C(C(=O)C#N)CCC1 |
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| InChI Key | KVRBWNOSWYYUMF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | ketones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | acyl cyanideshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | nitrileketoneorganic oxideacyl cyanideorganonitrogen compoundaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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