| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:56:33 UTC |
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| Update Date | 2025-03-21 18:04:59 UTC |
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| HMDB ID | HMDB0031329 |
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| Metabolite Identification |
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| DeepMet ID | DMID00054001 |
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| Name | Butyl nitrite |
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| Frequency | 59.7 |
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| Structure | |
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| Chemical Formula | C4H9NO2 |
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| Molecular Mass | 103.0633 |
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| SMILES | CCCCON=O |
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| InChI Key | JQJPBYFTQAANLE-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 nitroso compounds |
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| Direct Parent | organic o-nitroso compounds |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl nitriteshydrocarbon derivativesnitrite estersorganic nitrogen compoundsorganic oxidesorganooxygen compounds |
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| Substituents | aliphatic acyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativenitrite esterorganic nitriteorganooxygen compoundorganic o-nitroso compoundalkyl nitrite |
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