| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:39 UTC |
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| Update Date | 2025-03-21 18:39:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126200 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C7H11NO5 |
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| Molecular Mass | 189.0637 |
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| SMILES | O=C(O)CCCCC(O)=C[N+](=O)[O-] |
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| InChI Key | UUGRDZFTKFHLCG-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 acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic 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 compoundcarboxylic acid derivativemedium-chain hydroxy acidorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundnitro fatty acidorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic oxoazaniumorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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