| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:32 UTC |
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| Update Date | 2025-03-21 18:28:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073029 |
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| Frequency | 40.8 |
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| Structure | |
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| Chemical Formula | C11H14O5S |
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| Molecular Mass | 258.0562 |
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| SMILES | Cc1ccccc1CCCC(=O)OS(=O)(=O)O |
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| InChI Key | VVEMJBHOALAOHF-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 | toluenes |
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| Direct Parent | toluenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativesulfuric acid estertolueneorganooxygen compound |
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