| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:32 UTC |
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| Update Date | 2025-03-21 18:04:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053959 |
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| Frequency | 59.8 |
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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(O)c(C(=O)CC(=O)C(=O)O)c1 |
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| InChI Key | BNXQEGXXXOXIMW-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 benzenoids4-alkoxyphenolsalkyl 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 ketonebenzoylmethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativeorganic oxidealpha-keto acid4-alkoxyphenolmethoxybenzenegamma-keto acidbutyrophenonearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesanisoleketo acidphenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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