| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:03 UTC |
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| Update Date | 2025-03-21 18:31:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086233 |
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| Frequency | 33.1 |
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| Structure | |
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| Chemical Formula | C11H14O8S |
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| Molecular Mass | 306.0409 |
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| SMILES | O=C(CCC(O)c1cccc(O)c1)OCOS(=O)(=O)O |
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| InChI Key | CJMXCIDTQBQBKK-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesaromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholmonocyclic benzene moietysulfuric acid monoestercarbonyl group1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidealkyl sulfatealcoholorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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