| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:58 UTC |
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| Update Date | 2025-03-25 00:48:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169220 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO5 |
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| Molecular Mass | 279.1107 |
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| SMILES | CCCOC(=O)c1ccccc1C(=O)CC(N)C(=O)O |
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| InChI Key | AMVYCHVTQAZLLS-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 acidsaryl alkyl ketonesbenzoic acid estersbenzoyl derivativesbutyrophenonescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylbenzoate esteralpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzoic acid or derivativesgamma-keto acidbutyrophenonearomatic homomonocyclic compoundketo acidcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkyl-phenylketone |
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