| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:06 UTC |
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| Update Date | 2025-03-21 18:29:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076791 |
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| Frequency | 38.3 |
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| Structure | |
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| Chemical Formula | C11H14O2 |
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| Molecular Mass | 178.0994 |
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| SMILES | CC(C)(O)CC(=O)c1ccccc1 |
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| InChI Key | JRIXZVRUSPMVBG-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 ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenoneshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonemonocyclic benzene moietyaryl alkyl ketonebenzoylbutyrophenonearomatic homomonocyclic compoundtertiary alcoholorganic oxidehydrocarbon derivativebenzenoidalkyl-phenylketone |
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