| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:28 UTC |
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| Update Date | 2025-03-21 18:03:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042042 |
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| Frequency | 81.5 |
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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 | COS(=O)(=O)OC(=O)CCCc1ccccc1 |
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| InChI Key | TXIWXMWSRNDOOW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | sulfuric acid esters |
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| Direct Parent | sulfuric acid diesters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfatesbenzene and substituted derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfuric acid diesteralkyl sulfatehydrocarbon derivativebenzenoidorganooxygen compound |
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