| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:32 UTC |
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| Update Date | 2025-03-25 00:58:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232226 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H30O4 |
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| Molecular Mass | 346.2144 |
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| SMILES | CCC(CCC(C)=O)COC(=O)c1ccccc1C(=O)CC(C)(C)C |
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| InChI Key | AHZWYELPTWJQHH-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 estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylbenzoic acid or derivativesbenzoate estercarboxylic acid derivativebutyrophenonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativescarboxylic acid esterhydrocarbon derivativebenzenoidalkyl-phenylketone |
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