| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:48 UTC |
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| Update Date | 2025-03-21 18:34:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102499 |
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| Frequency | 26.5 |
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| Structure | |
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| Chemical Formula | C13H18NO3+ |
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| Molecular Mass | 236.1281 |
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| SMILES | C[N+](C)(C)C(CC(=O)c1ccccc1)C(=O)O |
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| InChI Key | WBYYNIYRMWJNLZ-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminesaryl alkyl ketonesbenzoyl derivativesbeta-amino ketonesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationbeta-aminoketoneorganic salttetraalkylammonium saltquaternary ammonium saltgamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidorganic nitrogen compoundaminealkyl-phenylketone |
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