| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:45:13 UTC |
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| Update Date | 2025-03-25 00:24:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01311650 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C5H9NO3 |
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| Molecular Mass | 131.0582 |
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| SMILES | CC(C)CC(=O)ON=O |
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| InChI Key | CSYZVCBGUILMHR-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 | organic oxoanionic compounds |
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| Subclass | organic nitrites |
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| Direct Parent | acyl nitrites |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid saltshydrocarbon derivativesmonocarboxylic acids and derivativesorganic o-nitroso compoundsorganic nitrogen compoundsorganic oxidesorganic salts |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganic nitroso compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesacyl nitritehydrocarbon derivativeorganic nitrogen compoundorganic saltcarboxylic acid saltorganooxygen compoundorganic o-nitroso compound |
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