| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:57 UTC |
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| Update Date | 2025-03-21 18:03:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043210 |
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| Frequency | 78.8 |
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| Structure | |
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| Chemical Formula | C10H8O6 |
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| Molecular Mass | 224.0321 |
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| SMILES | O=C(O)C(=O)CC(=O)c1cc(O)cc(O)c1 |
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| InChI Key | KTJJKEVNCWHBKU-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 benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesresorcinols |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeresorcinolorganic oxidealpha-keto acid1-hydroxy-4-unsubstituted benzenoidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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