| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:34:10 UTC |
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| Update Date | 2025-03-21 21:51:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00424267 |
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| Frequency | 4.2 |
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| Structure | |
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| Chemical Formula | C4H5NO3 |
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| Molecular Mass | 115.0269 |
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| SMILES | NC1C(=O)COC1=O |
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| InChI Key | IAOMJFCJRDYKSX-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 heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acidscarboxylic acid esterscyclic ketonesfuranonesgamma butyrolactoneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl groupcyclic ketoneketonelactoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid estertetrahydrofurangamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compound3-furanoneorganooxygen compound |
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