| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:13 UTC |
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| Update Date | 2025-03-25 00:51:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190382 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14NO4+ |
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| Molecular Mass | 188.0917 |
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| SMILES | CC(=CCCCCC(=O)O)[N+](=O)O |
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| InChI Key | QYBZQZFOTSVLCN-UHFFFAOYSA-O |
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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 acidsfatty acylshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundnitro fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
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