| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:37 UTC |
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| Update Date | 2025-03-21 18:32:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092256 |
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| Frequency | 30.3 |
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| Structure | |
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| Chemical Formula | C11H14O7S |
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| Molecular Mass | 290.046 |
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| SMILES | COc1ccc(CCC(=O)OS(=O)(=O)O)cc1OC |
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| InChI Key | JSUXGKYUYKDYRZ-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 | methoxybenzenes |
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| Direct Parent | dimethoxybenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoestercarbonyl groupetherorganic sulfuric acid or derivativesalkyl aryl ethercarboxylic acid derivativearomatic homomonocyclic compounddimethoxybenzeneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisoleo-dimethoxybenzenehydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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