| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:56 UTC |
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| Update Date | 2025-03-21 18:40:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131679 |
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| Frequency | 19.2 |
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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(C(=O)O)cc1O |
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| InChI Key | GPDLKOVVTPWOBQ-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 | p-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 benzenoidsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativeshydrocarbon derivativeshydroxybenzoic acid derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesterethercarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativephenylsulfateorganic oxidearylsulfate1-carboxy-2-haloaromatic compoundbenzoic acidorganic sulfuric acid or derivativesmethoxybenzenehydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundp-methoxybenzoic acid or derivativesanisolesulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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