| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:03:21 UTC |
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| Update Date | 2025-03-21 18:28:10 UTC |
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| HMDB ID | HMDB0126510 |
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| Metabolite Identification |
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| DeepMet ID | DMID00070183 |
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| Name | 3-(3,4-dihydroxy-5-methoxyphenyl)-2-oxopropanoic acid |
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| Frequency | 42.9 |
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| Structure | |
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| Chemical Formula | C10H10O6 |
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| Molecular Mass | 226.0477 |
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| SMILES | COc1cc(CC(=O)C(=O)O)cc(O)c1O |
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| InChI Key | WWEMUPFSNZXNHW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic acid derivatives |
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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 derivativesanisolescarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylpropanoic acids |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidmethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidealpha-keto acidphenylpyruvate1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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