| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:09:55 UTC |
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| Update Date | 2025-03-24 21:57:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01942897 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C4H5NO4 |
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| Molecular Mass | 131.0219 |
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| SMILES | O=C1OCCC1[N+](=O)[O-] |
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| InChI Key | RXBLQEUUHLCWEQ-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 | alpha amino acidsc-nitro compoundscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundstetrahydrofurans |
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| Substituents | carbonyl groupallyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundlactoneorganic oxidec-nitro compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumorganoheterocyclic compoundalpha-amino acid estertetrahydrofuranorganic 1,3-dipolar compoundgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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