| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:01 UTC |
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| Update Date | 2025-03-21 18:05:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057466 |
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| Frequency | 55.2 |
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| Structure | |
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| Chemical Formula | C6H12NO2+ |
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| Molecular Mass | 130.0863 |
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| SMILES | C[N+](C)(C)C=CC(=O)O |
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| InChI Key | BGLHLUMSWUTDLU-UHFFFAOYSA-O |
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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 | quaternary ammonium salts |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aminescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidquaternary ammonium saltcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganopnictogen compoundhydrocarbon derivativeorganic cationorganic saltamineorganooxygen compound |
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