| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:35:15 UTC |
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| Update Date | 2025-03-21 17:56:55 UTC |
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| HMDB ID | HMDB0131461 |
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| Metabolite Identification |
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| DeepMet ID | DMID00004440 |
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| Name | 3,5-dimethoxy-4-(sulfooxy)benzoic acid |
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| Frequency | 1265.0 |
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| Structure | |
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| Chemical Formula | C9H10O8S |
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| Molecular Mass | 278.0096 |
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| SMILES | COc1cc(C(=O)O)cc(OC)c1OS(=O)(=O)O |
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| InChI Key | RUXRRHGJTRVOSL-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 acidsdimethoxybenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesterethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativedimethoxybenzenephenylsulfateorganic oxidearylsulfatebenzoic acidm-methoxybenzoic acid or derivativesorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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