| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:53:14 UTC |
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| Update Date | 2025-03-24 20:56:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01617185 |
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| Frequency | 0.8 |
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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 | CC(C)COON=O |
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| InChI Key | BPSGZERSUHFVQK-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 peroxynitrites |
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| Direct Parent | organic peroxynitrites |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic o-nitroso compoundsorganic nitritesorganic nitrogen compoundsorganic oxidesorganooxygen compounds |
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| Substituents | organic peroxynitritealiphatic acyclic compoundorganic oxideorganic nitroso compoundhydrocarbon derivativeorganic nitrogen compoundorganic nitriteorganooxygen compoundorganic o-nitroso compound |
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