| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:40 UTC |
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| Update Date | 2025-03-25 00:46:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155089 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O2 |
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| Molecular Mass | 192.115 |
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| SMILES | Cc1ccc(C)c(C(=O)CC(C)O)c1 |
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| InChI Key | VAWIXLLZNIPUMV-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 oxidessecondary alcoholsp-xylenes |
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| Substituents | alcoholbeta-hydroxy ketonemonocyclic benzene moietyaryl alkyl ketonebenzoylbutyrophenonearomatic homomonocyclic compoundxyleneorganic oxidep-xylenesecondary alcoholhydrocarbon derivativebenzenoidalkyl-phenylketone |
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