| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:33 UTC |
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| Update Date | 2025-03-21 18:05:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056316 |
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| Frequency | 56.6 |
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| Structure | |
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| Chemical Formula | C13H16O4 |
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| Molecular Mass | 236.1049 |
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| SMILES | CC(=O)c1cc(C(=O)O)cc(C(C)(C)C)c1O |
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| InChI Key | OXFYGFIJUXGZIQ-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 ketonesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativeshydroxybenzoic acid derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenolsphenylpropanesvinylogous acids |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylbenzoic acid or derivativescarboxylic acid derivativehydroxybenzoic acidphenylpropanearomatic homomonocyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesacetophenonephenolhydrocarbon derivativebenzenoidbenzoic acidalkyl-phenylketone |
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