| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:34:09 UTC |
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| Update Date | 2025-03-21 17:56:31 UTC |
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| HMDB ID | HMDB0041788 |
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| Metabolite Identification |
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| DeepMet ID | DMID00001808 |
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| Name | Vanillic acid 4-O-sulfate |
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| Frequency | 3345.0 |
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| Structure | |
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| Chemical Formula | C8H8O7S |
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| Molecular Mass | 247.9991 |
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| SMILES | COc1cc(C(=O)O)ccc1OS(=O)(=O)O |
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| InChI Key | TXRKUXPAEPOCIX-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 | benzoic acids and derivatives |
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| Direct Parent | m-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesterethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativephenylsulfateorganic oxidearylsulfatebenzoic acidm-methoxybenzoic acid or derivativesorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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