| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:23:28 UTC |
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| Update Date | 2025-03-24 21:36:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01833054 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C8H13NO |
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| Molecular Mass | 139.0997 |
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| SMILES | CCCC=CCC(O)C#N |
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| InChI Key | CDWKSWSSEZUTIZ-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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