| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:35 UTC |
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| Update Date | 2025-03-25 00:58:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232357 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H11NO |
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| Molecular Mass | 113.0841 |
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| SMILES | CCC(O)(C#N)CC |
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| InChI Key | QWJRZIUNOYNJIQ-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 | alcohols and polyols |
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| Direct Parent | tertiary alcohols |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxynitrilescyanohydrinshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundnitrilecyanohydrintertiary alcoholalpha-hydroxynitrileorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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