| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:01:25 UTC |
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| Update Date | 2025-03-24 21:53:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01922759 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C4H7NO3 |
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| Molecular Mass | 117.0426 |
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| SMILES | COC(=O)C(C)N=O |
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| InChI Key | OICJKRBFEZJVLT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsc-nitroso compoundscarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganic nitroso compoundalpha-amino acid esterorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundalanine or derivativesc-nitroso compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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