| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:42:50 UTC |
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| Update Date | 2025-03-24 21:18:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01737062 |
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| Frequency | 0.7 |
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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(=O)CC=CC#N |
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| InChI Key | BKEQNGUGAYUYFF-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 acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundnitrileketoneorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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