| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:38 UTC |
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| Update Date | 2025-03-21 18:03:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044862 |
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| Frequency | 75.3 |
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| Structure | |
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| Chemical Formula | C14H18O3 |
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| Molecular Mass | 234.1256 |
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| SMILES | CCC(=O)c1ccccc1C(=O)OCC(C)C |
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| InChI Key | FJYVOATZGPJAIY-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 | aryl alkyl ketonesbenzoic acid estersbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenylpropanes |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylbenzoic acid or derivativesbenzoate estercarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativescarboxylic acid esterhydrocarbon derivativebenzenoidalkyl-phenylketone |
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