| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:37:12 UTC |
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| Update Date | 2025-03-21 17:57:36 UTC |
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| HMDB ID | HMDB0128025 |
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| Metabolite Identification |
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| DeepMet ID | DMID00008957 |
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| Name | 3-hydroxy-5-methoxy-4-(sulfooxy)benzoic acid |
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| Frequency | 541.2 |
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| Structure | |
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| Chemical Formula | C8H8O8S |
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| Molecular Mass | 263.994 |
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| SMILES | COc1cc(C(=O)O)cc(O)c1OS(=O)(=O)O |
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| InChI Key | QUGZPKOJDPDIDP-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativeshydroxybenzoic acid derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesterethercarboxylic acidmethoxyphenolbenzoyl1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativephenylsulfateorganic oxidearylsulfatebenzoic acidm-methoxybenzoic acid or derivativesorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzenehydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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