| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:44:57 UTC |
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| Update Date | 2025-03-24 21:45:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01884082 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H7NO |
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| Molecular Mass | 109.0528 |
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| SMILES | CC=C(C)C(=O)C#N |
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| InChI Key | PBMQEIVSEMRFSB-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 | alpha-branched alpha,beta-unsaturated ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsacyl cyanidesenoneshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundnitrileketoneorganic oxideacyl cyanideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundcarbonitrileenone |
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