| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:30:25 UTC |
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| Update Date | 2025-03-24 14:27:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00843993 |
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| Frequency | 1.7 |
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| Structure | |
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| Chemical Formula | C4H5NO |
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| Molecular Mass | 83.0371 |
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| SMILES | CC(O)=CC#N |
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| InChI Key | XFBANCCFILWXGD-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 | nitriles |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundnitrileorganic oxygen compoundorganopnictogen compoundhydrocarbon derivativecarbonitrileorganooxygen compound |
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