| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:15 UTC |
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| Update Date | 2025-03-25 00:52:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02192687 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H41N2O4+ |
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| Molecular Mass | 385.3061 |
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| SMILES | CCCCCCCCCCCC=CC(=O)OC(CC[N+](=O)[O-])C[N+](C)(C)C |
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| InChI Key | HNVFWENHSWUNRI-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 | aminesc-nitro compoundscarbonyl compoundsenoate estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativeorganic nitro compoundalpha,beta-unsaturated carboxylic esterorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic cationorganic oxoazaniumorganic saltenoate estertetraalkylammonium saltquaternary ammonium saltfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundorganic hyponitrite |
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