| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:10 UTC |
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| Update Date | 2025-03-21 18:02:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038958 |
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| Frequency | 89.6 |
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| Structure | |
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| Chemical Formula | C11H12O5 |
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| Molecular Mass | 224.0685 |
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| SMILES | COC(=O)C(=O)Cc1ccc(O)c(OC)c1 |
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| InChI Key | NFVKOXMLNJPCTB-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 benzenoidsalkyl aryl ethersalpha-keto acids and derivativesanisolesfatty acid estershydrocarbon derivativesketonesmethoxybenzenesmethoxyphenolsmethyl estersmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | fatty acylphenol ethercarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeketoneorganic oxidemethyl esteralpha-keto acidphenylpyruvatemethoxybenzenearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidcarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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