| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:27:57 UTC |
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| Update Date | 2025-03-25 00:18:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01271468 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C4H9NO3 |
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| Molecular Mass | 119.0582 |
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| SMILES | O=NOCCCCO |
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| InChI Key | TXLATVNFNYEVGB-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 | alcohols and polyolsalkyl nitriteshydrocarbon derivativesnitrite estersorganic nitrogen compoundsorganic oxides |
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| Substituents | alcoholaliphatic acyclic compoundorganic nitritealkyl nitriteorganic oxideorganic oxygen compoundhydrocarbon derivativenitrite esterorganooxygen compoundorganic o-nitroso compound |
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