| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:12 UTC |
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| Update Date | 2025-03-21 18:04:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050959 |
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| Frequency | 64.2 |
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| Structure | |
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| Chemical Formula | C13H18O2 |
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| Molecular Mass | 206.1307 |
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| SMILES | CC(=O)c1cc(C)cc(C(C)(C)C)c1O |
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| InChI Key | CMMOGQOBZJYXTH-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 | acetophenonesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundspara cresolsphenolsphenylpropanestoluenesvinylogous acids |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylphenylpropanearomatic homomonocyclic compoundvinylogous acidorganic oxidep-cresolacetophenonephenolhydrocarbon derivativebenzenoidtoluenealkyl-phenylketone |
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