| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:13:37 UTC |
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| Update Date | 2025-03-21 19:07:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00235740 |
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| Frequency | 9.0 |
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| Structure | |
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| Chemical Formula | C5H5NO2 |
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| Molecular Mass | 111.032 |
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| SMILES | CCC(=O)C(=O)C#N |
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| InChI Key | QPWNJFQAEXXXRY-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-diketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl cyanideshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundnitrilealpha-diketoneorganic oxideacyl cyanideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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