| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:49 UTC |
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| Update Date | 2025-03-21 18:41:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133665 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C13H14O4 |
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| Molecular Mass | 234.0892 |
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| SMILES | CC(C)c1cccc(C(=O)CC(=O)C(=O)O)c1 |
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| InChI Key | OFGHQWRLHVEWFD-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-hydroxy ketonesalpha-keto acids and derivativesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidscumenesgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanes |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylalpha-hydroxy ketonecarboxylic acid derivativephenylpropaneorganic oxidealpha-keto acidcumenegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidalkyl-phenylketone |
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