| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:50 UTC |
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| Update Date | 2025-03-25 00:56:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217142 |
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| Frequency | 0.5 |
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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 | COC(=O)c1c(O)cc(OC)cc1OS(=O)(=O)O |
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| InChI Key | YJBZLNNLPKQTOE-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmethyl estersmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessalicylic acid and derivativessulfuric acid monoestersvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | phenol ethersulfuric acid monoesterethermethoxyphenolbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate esteralkyl aryl ethercarboxylic acid derivativephenylsulfateorganic oxidemethyl esterarylsulfateorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid esterp-methoxybenzoic acid or derivativesanisolecarboxylic acid estersulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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