| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:12:50 UTC |
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| Update Date | 2025-03-21 19:07:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00233836 |
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| Frequency | 9.1 |
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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 | CC(O)CC#N |
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| InChI Key | BYJAJQGCMSBKPB-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 | secondary alcohols |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundnitrileorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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