| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:27 UTC |
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| Update Date | 2025-03-21 17:56:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00002504 |
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| Frequency | 2422.2 |
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| Structure | |
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| Chemical Formula | C17H32NO6+ |
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| Molecular Mass | 346.2224 |
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| SMILES | C[N+](C)(C)C(CCC(=O)O)OC(=O)CCCCCCCCC(=O)O |
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| InChI Key | SPYBLQJUXGJMQU-UHFFFAOYSA-O |
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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 | carbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidtetraalkylammonium salttricarboxylic acid or derivativesfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltorganooxygen compound |
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