| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:01 UTC |
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| Update Date | 2025-03-21 18:41:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134116 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C16H27NO8 |
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| Molecular Mass | 361.1737 |
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| SMILES | O=C(O)CCCCCCCCCCC(=O)OC(CCC(=O)O)[N+](=O)[O-] |
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| InChI Key | AQPPEUOKEPMONG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | c-nitro compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesnitro fatty acidsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidallyl-type 1,3-dipolar organic compoundtricarboxylic acid or derivativesorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundnitro fatty acidfatty acid esterorganic oxideorganic oxygen compoundc-nitro compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
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