| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:18 UTC |
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| Update Date | 2025-03-25 00:50:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179194 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N2O3+ |
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| Molecular Mass | 251.139 |
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| SMILES | C[N+](C)(C)C(CC(=O)O)C(=O)c1ccccc1N |
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| InChI Key | FPZQCCXUUZLWNO-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 ketonesamino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsprimary aminestetraalkylammonium saltsvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxidealpha-aminoketoneorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltvinylogous amidetetraalkylammonium saltquaternary ammonium saltgamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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