| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:54 UTC |
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| Update Date | 2025-03-21 18:34:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100242 |
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| Frequency | 27.3 |
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| Structure | |
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| Chemical Formula | C11H13NO3 |
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| Molecular Mass | 207.0895 |
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| SMILES | CNC(CC(=O)c1ccccc1)C(=O)O |
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| InChI Key | FQELBZYORQVLQG-UHFFFAOYSA-N |
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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 acidsamino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsdialkylaminesgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesecondary aminegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketoneamine |
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