| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:27:53 UTC |
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| Update Date | 2025-03-25 01:26:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02403626 |
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| Frequency | 0.5 |
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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=CC(O)CC#N |
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| InChI Key | LEHBNZAFCBRGAI-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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