| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:33:52 UTC |
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| Update Date | 2025-03-21 17:56:24 UTC |
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| HMDB ID | HMDB0000291 |
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| Metabolite Identification |
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| DeepMet ID | DMID00001157 |
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| Name | Vanillylmandelic acid |
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| Frequency | 5047.0 |
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| Structure | |
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| Chemical Formula | C9H10O5 |
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| Molecular Mass | 198.0528 |
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| SMILES | COc1cc(C(O)C(=O)O)ccc1O |
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| InChI Key | CGQCWMIAEPEHNQ-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesanisolesaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxidealcoholhydroxy acidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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