| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:06 UTC |
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| Update Date | 2025-03-21 17:57:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011049 |
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| Frequency | 421.5 |
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| Structure | |
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| Chemical Formula | C8H8O7S |
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| Molecular Mass | 247.9991 |
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| SMILES | COc1ccc(C(=O)OS(=O)(=O)O)cc1O |
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| InChI Key | LGQBKLNEZIIPMN-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 ethersanisolesbenzoic acids and derivativesbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesteretherbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxideorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundp-methoxybenzoic acid or derivativesanisolephenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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