| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:02 UTC |
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| Update Date | 2025-03-21 18:02:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038655 |
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| Frequency | 90.5 |
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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 | COc1cc(C(=O)OS(=O)(=O)O)c(C)c(O)c1O |
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| InChI Key | JOZGNQADZTYESV-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-4-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzoic acids and derivativesbenzoyl derivativeshydrocarbon derivativesmeta cresolsmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesortho cresolsphenoxy compoundssulfuric acid monoesterstoluenes |
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| Substituents | phenol ethersulfuric acid monoesterethermethoxyphenolbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxideo-cresolm-methoxybenzoic acid or derivativesorganic sulfuric acid or derivativesm-cresol1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativephenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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