| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:49 UTC |
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| Update Date | 2025-03-25 00:51:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187251 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO4 |
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| Molecular Mass | 249.1001 |
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| SMILES | CC(=O)Nc1cccc(C(=O)CC(C)C(=O)O)c1 |
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| InChI Key | JOOXLPHHWYCYMD-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 | acetamidesacetanilidesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonen-acetylarylaminebenzoyln-arylamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideacetanilidecarboxamide groupgamma-keto acidbutyrophenonearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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