| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:34:20 UTC |
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| Update Date | 2025-03-24 20:48:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01573114 |
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| Frequency | 0.8 |
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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 | CC1(O)CCC(C#N)CC1 |
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| InChI Key | IBYXLINXEJUTNE-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 | cyclohexanols |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | cyclic alcohols and derivativeshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
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| Substituents | nitrilecyclohexanolcyclic alcoholtertiary alcoholorganonitrogen compoundaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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