| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:30 UTC |
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| Update Date | 2025-03-25 00:57:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227690 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O3 |
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| Molecular Mass | 204.0786 |
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| SMILES | CC(=O)C(=O)CCC(=O)c1ccccc1 |
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| InChI Key | JNAZJFCKASTDOJ-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-diketonesaryl alkyl ketonesbenzoyl derivativesbutyrophenoneshydrocarbon derivativesorganic oxides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylalpha-diketonebutyrophenonearomatic homomonocyclic compoundorganic oxidehydrocarbon derivativebenzenoidalkyl-phenylketone |
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