| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:14 UTC |
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| Update Date | 2025-03-21 18:36:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108508 |
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| Frequency | 24.7 |
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| Structure | |
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| Chemical Formula | C12H16O4 |
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| Molecular Mass | 224.1049 |
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| SMILES | CC(C)(C)CC(=O)c1c(O)cc(O)cc1O |
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| InChI Key | JBMADCAALFCQME-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsacylphloroglucinols and derivativesaryl alkyl ketonesbenzoyl derivativesbutyrophenoneshydrocarbon derivativesorganic oxidesorganooxygen compoundsvinylogous acids |
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| Substituents | acylphloroglucinol derivativemonocyclic benzene moietyaryl alkyl ketonebenzenetriolbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidbutyrophenonephloroglucinol derivativearomatic homomonocyclic compoundvinylogous acidorganic oxidephenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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