| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:26:26 UTC |
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| Update Date | 2025-03-24 20:19:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01410398 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C5H5NO |
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| Molecular Mass | 95.0371 |
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| SMILES | C=C(C)C(=O)C#N |
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| InChI Key | MBEQREFLONMSSX-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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