| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:24 UTC |
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| Update Date | 2025-03-21 17:58:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00014100 |
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| Frequency | 313.6 |
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| Structure | |
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| Chemical Formula | C11H14O6S |
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| Molecular Mass | 274.0511 |
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| SMILES | O=C(CCCc1ccccc1)OCOS(=O)(=O)O |
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| InChI Key | RSZSKHKCZOIJSK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfatesbenzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralkyl sulfatesulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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