| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:21:59 UTC |
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| Update Date | 2025-03-21 23:15:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00679039 |
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| Frequency | 2.3 |
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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 | C=[N+]([O-])CCC(=O)O |
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| InChI Key | ALIKWXXMLRTEQQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic 1,3-dipolar compounds |
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| Class | allyl-type 1,3-dipolar organic compounds |
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| Subclass | nitrones |
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| Direct Parent | nitrones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitritenitrone |
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