| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:53:07 UTC |
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| Update Date | 2025-03-21 20:06:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00326948 |
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| Frequency | 5.9 |
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| Structure | |
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| Chemical Formula | C4H5NO2 |
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| Molecular Mass | 99.032 |
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| SMILES | CC(O)C(=O)C#N |
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| InChI Key | RDRRUSVDYIIEPD-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 | acyloins |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl cyanidesalpha-hydroxy ketoneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundnitrilealpha-hydroxy ketoneketoneorganic oxideacyl cyanideacyloinorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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