| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:21:23 UTC |
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| Update Date | 2025-03-21 23:14:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00677619 |
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| Frequency | 2.3 |
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| Structure | |
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| Chemical Formula | C5H9NO |
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| Molecular Mass | 99.0684 |
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| SMILES | CC(C)(C#N)CO |
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| InChI Key | WWXFHHXOVMQARV-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 | alcohols and polyolshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | alcoholaliphatic acyclic compoundnitrileorganic oxygen compoundorganopnictogen compoundhydrocarbon derivativecarbonitrileorganooxygen compound |
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