| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:49 UTC |
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| Update Date | 2025-03-21 18:33:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095146 |
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| Frequency | 29.2 |
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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(OS(=O)(=O)O)c(O)cc1C(=O)O |
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| InChI Key | SCWNJXZPAXOCAV-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 | o-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativeshydrocarbon derivativeshydroxybenzoic acid derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesterethercarboxylic acidbenzoylmethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativephenylsulfateorganic oxideo-methoxybenzoic acid or derivativesarylsulfate1-carboxy-2-haloaromatic compoundbenzoic acid4-alkoxyphenolorganic sulfuric acid or derivativesmethoxybenzenehydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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