| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:40 UTC |
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| Update Date | 2025-03-21 18:01:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035335 |
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| Frequency | 101.0 |
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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 | CC(=O)c1cc(C(C)(C)C)ccc1O |
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| InChI Key | XOCANIQKLIKENC-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 | 1-hydroxy-2-unsubstituted benzenoidsacetophenonesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenylpropanesvinylogous acids |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidphenylpropanearomatic homomonocyclic compoundvinylogous acidorganic oxideacetophenonephenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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