| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:41:48 UTC |
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| Update Date | 2025-03-21 22:54:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00584666 |
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| Frequency | 2.8 |
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| Structure | |
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| Chemical Formula | C4H7NO |
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| Molecular Mass | 85.0528 |
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| SMILES | CCC(O)C#N |
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| InChI Key | NHSSTOSZJANVEV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | organic cyanides |
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| Direct Parent | cyanohydrins |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxynitrileshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcyanohydrinorganic oxygen compoundalpha-hydroxynitrilesecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganooxygen compound |
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