| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:52 UTC |
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| Update Date | 2025-03-21 18:33:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097735 |
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| Frequency | 28.2 |
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| Structure | |
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| Chemical Formula | C13H18O3 |
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| Molecular Mass | 222.1256 |
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| SMILES | CC(=O)c1cc(CO)cc(C(C)(C)C)c1O |
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| InChI Key | VURKMPSHXQVMNF-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 | acetophenonesaromatic alcoholsaryl alkyl ketonesbenzoyl derivativesbenzyl alcoholshydrocarbon derivativesorganic oxidesphenolsphenylpropanesvinylogous acids |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietyaryl alkyl ketonebenzoylbenzyl alcoholphenylpropanearomatic homomonocyclic compoundvinylogous acidorganic oxideacetophenonephenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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