| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:31 UTC |
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| Update Date | 2025-03-21 18:34:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099307 |
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| Frequency | 27.6 |
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| Structure | |
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| Chemical Formula | C12H11NO5 |
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| Molecular Mass | 249.0637 |
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| SMILES | CC(=O)Nc1ccc(C(=O)CC(=O)C(=O)O)cc1 |
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| InChI Key | PVJCHYYKBSHFGD-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 | acetamidesacetanilidesalpha-hydroxy ketonesalpha-keto acids and derivativesaryl 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-arylamidealpha-hydroxy ketonecarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundacetamideacetanilidecarboxamide groupgamma-keto acidbutyrophenonearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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