| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:03 UTC |
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| Update Date | 2025-03-21 18:41:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136449 |
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| Frequency | 18.4 |
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| Structure | |
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| Chemical Formula | C16H20O5 |
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| Molecular Mass | 292.1311 |
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| SMILES | CC(C)COC(=O)c1ccccc1C(=O)CC(C)C(=O)O |
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| InChI Key | XMWYPYINWBPPRH-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 derivativesbutyrophenonescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylbenzoic acid or derivativesbenzoate estercarboxylic acid derivativegamma-keto acidbutyrophenonearomatic homomonocyclic compoundorganic oxideketo acidcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidalkyl-phenylketone |
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