| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:09 UTC |
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| Update Date | 2025-03-25 00:53:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201609 |
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| Frequency | 0.5 |
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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 | Cc1c(C)c(C(=O)C(C)C)c(O)c(C)c1O |
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| InChI Key | HDQFNBWBIZJWNC-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 derivativeshydrocarbon derivativesmeta cresolsorganic oxidesorganooxygen compoundsortho cresolspara cresolsphenolsphenylpropanesresorcinolsvinylogous acids |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonem-cresolbenzoylresorcinolphenylpropanearomatic homomonocyclic compoundvinylogous acidorganic oxidep-cresolo-cresolphenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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