| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:28 UTC |
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| Update Date | 2025-03-21 18:00:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027771 |
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| Frequency | 136.3 |
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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)OS(=O)(=O)O)c(O)cc1O |
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| InChI Key | OZCHZDLSDKPHNY-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 benzenoids4-alkoxyphenolsalkyl aryl ethersanisolesbenzoic acids and derivativesbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsresorcinolssalicylic acid and derivativessulfuric acid monoestersvinylogous acids |
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| Substituents | phenol ethersulfuric acid monoesteretherbenzoylmethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeresorcinolorganic oxidem-methoxybenzoic acid or derivatives4-alkoxyphenolorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesanisolephenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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