| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:02 UTC |
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| Update Date | 2025-03-25 00:47:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162494 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11NO4 |
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| Molecular Mass | 173.0688 |
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| SMILES | O=C(O)C=CCCCC[N+](=O)[O-] |
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| InChI Key | OBXFNMXTYQUUOU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | nitro fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | c-nitro compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsstraight chain fatty acidsunsaturated fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidallyl-type 1,3-dipolar organic compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundnitro fatty acidunsaturated fatty acidorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidorganic oxoazaniumstraight chain fatty acidorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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