| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:58 UTC |
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| Update Date | 2025-03-25 00:56:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219771 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H25N2O2+ |
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| Molecular Mass | 265.1911 |
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| SMILES | C[N+](C)(C)CCOC(=O)CCCc1ccc(N)cc1 |
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| InChI Key | XWNFSBGJQNLAPN-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsprimary aminestetraalkylammonium salts |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupamino acid or derivativescarboxylic acid derivativeorganic oxideorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteracyl cholinehydrocarbon derivativebenzenoidprimary amineamineorganooxygen compound |
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