| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:34 UTC |
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| Update Date | 2025-03-21 18:36:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111720 |
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| Frequency | 23.8 |
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| Structure | |
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| Chemical Formula | C11H10O6 |
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| Molecular Mass | 238.0477 |
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| SMILES | COc1ccc(C(=O)CC(=O)C(=O)O)c(O)c1 |
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| InChI Key | JFMBLSIFZPITNI-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 benzenoidsalkyl aryl ethersalpha-hydroxy ketonesalpha-keto acids and derivativesanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketonemethoxyphenolbenzoyl1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativeorganic oxidealpha-keto acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzenegamma-keto acidbutyrophenonearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesanisoleketo acidphenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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