| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:01 UTC |
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| Update Date | 2025-03-25 00:46:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155879 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H30NO3+ |
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| Molecular Mass | 308.222 |
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| SMILES | C[N+](C)(C)CCOC(=O)CCC=CCC=CCC=CCC=O |
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| InChI Key | FIUAUPVZSNPSQO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | quaternary ammonium salts |
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| Direct Parent | acyl cholines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydesaminescarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl grouptetraalkylammonium saltaldehydecarboxylic acid derivativefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydrogen aldehydecarboxylic acid esteracyl cholineorganopnictogen compoundhydrocarbon derivativeorganic cationorganic saltamineorganooxygen compound |
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