| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:17 UTC |
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| Update Date | 2025-03-25 00:58:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02229398 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H31NO6 |
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| Molecular Mass | 357.2151 |
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| SMILES | CCCCCCCCCCCCC=CC(=O)OC(CC(=O)O)[N+](=O)[O-] |
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| InChI Key | IEPVOCCHPREVRK-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 acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | c-nitro compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estershydrocarbon 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 derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundalpha,beta-unsaturated carboxylic esterorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumenoate esterorganic 1,3-dipolar compoundfatty acid esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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