| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:54 UTC |
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| Update Date | 2025-03-25 00:57:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224248 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O10S |
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| Molecular Mass | 336.0151 |
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| SMILES | O=C(CCC(=O)Oc1c(O)cccc1O)OCOS(=O)(=O)O |
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| InChI Key | QGKWRJBASUGAJU-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 | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol 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 sulfatescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesphenoxy compoundsresorcinolssulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl group1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeresorcinolorganic oxidealkyl sulfateorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativessulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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